1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone

C113H216N18O8 — CID 167593861

IUPAC1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
SMILESCC(C)CCN1CCN(C(=O)C2CCN(CC(C)C)CC2)CC1.CC(C)CCN1CCN(C(=O)CC2CCN(CC(C)C)CC2)CC1.CC(C)CN1CCC(C(=O)N2CCN(C(=O)C(C)C)CC2)CC1.CC(C)CN1CCC(C(=O)N2CCN(CC(C)C)CC2)CC1.CC(C)CN1CCC(CC(=O)N2CCN(C(=O)C(C)C)CC2)CC1.CC(C)CN1CCC(CC(=O)N2CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C20H39N3O.C19H35N3O2.2C19H37N3O.C18H33N3O2.C18H35N3O/c1-17(2)5-8-21-11-13-23(14-12-21)20(24)15-19-6-9-22(10-7-19)16-18(3)4;1-15(2)14-20-7-5-17(6-8-20)13-18(23)21-9-11-22(12-10-21)19(24)16(3)4;1-16(2)5-8-20-11-13-22(14-12-20)19(23)18-6-9-21(10-7-18)15-17(3)4;1-16(2)14-20-7-5-18(6-8-20)13-19(23)22-11-9-21(10-12-22)15-17(3)4;1-14(2)13-19-7-5-16(6-8-19)18(23)21-11-9-20(10-12-21)17(22)15(3)4;1-15(2)13-19-7-5-17(6-8-19)18(22)21-11-9-20(10-12-21)14-16(3)4/h17-19H,5-16H2,1-4H3;15-17H,5-14H2,1-4H3;2*16-18H,5-15H2,1-4H3;14-16H,5-13H2,1-4H3;15-17H,5-14H2,1-4H3
InChIKeyITZYGIICTMZOEJ-UHFFFAOYSA-N
MW1955.09 g/mol
LogP13.93
Rot. Bonds33

About 1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone

1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone (PubChem CID 167593861) has the molecular formula C113H216N18O8 and a molecular weight of 1955.09 g/mol. Its IUPAC name is 1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
PubChem CID167593861
Molecular FormulaC113H216N18O8
Molecular Weight1955.09 g/mol
Exact Mass1953.70
IUPAC Name1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
SMILESCC(C)CCN1CCN(C(=O)C2CCN(CC(C)C)CC2)CC1.CC(C)CCN1CCN(C(=O)CC2CCN(CC(C)C)CC2)CC1.CC(C)CN1CCC(C(=O)N2CCN(C(=O)C(C)C)CC2)CC1.CC(C)CN1CCC(C(=O)N2CCN(CC(C)C)CC2)CC1.CC(C)CN1CCC(CC(=O)N2CCN(C(=O)C(C)C)CC2)CC1.CC(C)CN1CCC(CC(=O)N2CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C20H39N3O.C19H35N3O2.2C19H37N3O.C18H33N3O2.C18H35N3O/c1-17(2)5-8-21-11-13-23(14-12-21)20(24)15-19-6-9-22(10-7-19)16-18(3)4;1-15(2)14-20-7-5-17(6-8-20)13-18(23)21-9-11-22(12-10-21)19(24)16(3)4;1-16(2)5-8-20-11-13-22(14-12-20)19(23)18-6-9-21(10-7-18)15-17(3)4;1-16(2)14-20-7-5-18(6-8-20)13-19(23)22-11-9-21(10-12-22)15-17(3)4;1-14(2)13-19-7-5-16(6-8-19)18(23)21-11-9-20(10-12-21)17(22)15(3)4;1-15(2)13-19-7-5-17(6-8-19)18(22)21-11-9-20(10-12-21)14-16(3)4/h17-19H,5-16H2,1-4H3;15-17H,5-14H2,1-4H3;2*16-18H,5-15H2,1-4H3;14-16H,5-13H2,1-4H3;15-17H,5-14H2,1-4H3
InChIKeyITZYGIICTMZOEJ-UHFFFAOYSA-N
XLogP13.93
TPSA194.88 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds33
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001955.09
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

(4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 60964122
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139
1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 61030469
cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074992
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62808544
1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine
CID 167538514
[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 113072893
[1-(2-methylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 883920
3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one
CID 153390625
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831557
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone?
The IUPAC name of 1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone (CID 167593861) is 1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone.
What is the SMILES notation for 1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone?
The canonical SMILES for 1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone is CC(C)CCN1CCN(C(=O)C2CCN(CC(C)C)CC2)CC1.CC(C)CCN1CCN(C(=O)CC2CCN(CC(C)C)CC2)CC1.CC(C)CN1CCC(C(=O)N2CCN(C(=O)C(C)C)CC2)CC1.CC(C)CN1CCC(C(=O)N2CCN(CC(C)C)CC2)CC1.CC(C)CN1CCC(CC(=O)N2CCN(C(=O)C(C)C)CC2)CC1.CC(C)CN1CCC(CC(=O)N2CCN(CC(C)C)CC2)CC1.
What is the InChIKey of 1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone?
The InChIKey is ITZYGIICTMZOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O.C19H35N3O2.2C19H37N3O.C18H33N3O2.C18H35N3O/c1-17(2)5-8-21-11-13-23(14-12-21)20(24)15-19-6-9-22(10-7-19)16-18(3)4;1-15(2)14-20-7-5-17(6-8-20)13-18(23)21-9-11-22(12-10-21)19(24)16(3)4;1-16(2)5-8-20-11-13-22(14-12-20)19(23)18-6-9-21(10-7-18)15-17(3)4;1-16(2)14-20-7-5-18(6-8-20)13-19(23)22-11-9-21(10-12-22)15-17(3)4;1-14(2)13-19-7-5-16(6-8-19)18(23)21-11-9-20(10-12-21)17(22)15(3)4;1-15(2)13-19-7-5-17(6-8-19)18(22)21-11-9-20(10-12-21)14-16(3)4/h17-19H,5-16H2,1-4H3;15-17H,5-14H2,1-4H3;2*16-18H,5-15H2,1-4H3;14-16H,5-13H2,1-4H3;15-17H,5-14H2,1-4H3.
What are the key properties of 1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone?
1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone has a molecular weight of 1955.09 g/mol, XLogP of 13.93, 33 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone is sourced from PubChem (CID 167593861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).