2-[1-(3-methylbutyl)piperidin-4-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;[1-(3-methylbutyl)piperidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;2-methyl-1-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-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 167569213

IUPAC2-[1-(3-methylbutyl)piperidin-4-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;[1-(3-methylbutyl)piperidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;2-methyl-1-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-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)CCN1CCC(C(=O)N2CCN(CC(C)C)CC2)CC1.CC(C)CCN1CCC(CC(=O)N2CCN(CC(C)C)CC2)CC1.CC(C)CN1CCC(C(=O)N2CCN(CC(C)C)CC2)CC1.CC(C)CN1CCC(CC(=O)N2CCN(CC(C)C)CC2)CC1.CC(C)CN1CCN(C(=O)C2CCN(C(=O)C(C)C)CC2)CC1.CC(C)CN1CCN(C(=O)CC2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C20H39N3O.C19H35N3O2.2C19H37N3O.C18H33N3O2.C18H35N3O/c1-17(2)5-8-21-9-6-19(7-10-21)15-20(24)23-13-11-22(12-14-23)16-18(3)4;1-15(2)14-20-9-11-21(12-10-20)18(23)13-17-5-7-22(8-6-17)19(24)16(3)4;1-16(2)5-8-20-9-6-18(7-10-20)19(23)22-13-11-21(12-14-22)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)13-19-9-11-21(12-10-19)18(23)16-5-7-20(8-6-16)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
InChIKeyFRIYCXMQIOESMM-UHFFFAOYSA-N
MW1955.09 g/mol
LogP13.93
Rot. Bonds33

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

2-[1-(3-methylbutyl)piperidin-4-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;[1-(3-methylbutyl)piperidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;2-methyl-1-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-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 167569213) has the molecular formula C113H216N18O8 and a molecular weight of 1955.09 g/mol. Its IUPAC name is 2-[1-(3-methylbutyl)piperidin-4-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;[1-(3-methylbutyl)piperidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;2-methyl-1-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-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 Name2-[1-(3-methylbutyl)piperidin-4-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;[1-(3-methylbutyl)piperidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;2-methyl-1-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-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 CID167569213
Molecular FormulaC113H216N18O8
Molecular Weight1955.09 g/mol
Exact Mass1953.70
IUPAC Name2-[1-(3-methylbutyl)piperidin-4-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;[1-(3-methylbutyl)piperidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;2-methyl-1-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-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)CCN1CCC(C(=O)N2CCN(CC(C)C)CC2)CC1.CC(C)CCN1CCC(CC(=O)N2CCN(CC(C)C)CC2)CC1.CC(C)CN1CCC(C(=O)N2CCN(CC(C)C)CC2)CC1.CC(C)CN1CCC(CC(=O)N2CCN(CC(C)C)CC2)CC1.CC(C)CN1CCN(C(=O)C2CCN(C(=O)C(C)C)CC2)CC1.CC(C)CN1CCN(C(=O)CC2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C20H39N3O.C19H35N3O2.2C19H37N3O.C18H33N3O2.C18H35N3O/c1-17(2)5-8-21-9-6-19(7-10-21)15-20(24)23-13-11-22(12-14-23)16-18(3)4;1-15(2)14-20-9-11-21(12-10-20)18(23)13-17-5-7-22(8-6-17)19(24)16(3)4;1-16(2)5-8-20-9-6-18(7-10-20)19(23)22-13-11-21(12-14-22)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)13-19-9-11-21(12-10-19)18(23)16-5-7-20(8-6-16)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
InChIKeyFRIYCXMQIOESMM-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 2-[1-(3-methylbutyl)piperidin-4-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;[1-(3-methylbutyl)piperidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;2-methyl-1-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylbutyl)piperidin-4-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;[1-(3-methylbutyl)piperidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;2-methyl-1-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-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 2-[1-(3-methylbutyl)piperidin-4-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;[1-(3-methylbutyl)piperidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;2-methyl-1-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-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 167569213) is 2-[1-(3-methylbutyl)piperidin-4-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;[1-(3-methylbutyl)piperidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;2-methyl-1-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-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 2-[1-(3-methylbutyl)piperidin-4-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;[1-(3-methylbutyl)piperidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;2-methyl-1-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-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 2-[1-(3-methylbutyl)piperidin-4-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;[1-(3-methylbutyl)piperidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;2-methyl-1-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-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)CCN1CCC(C(=O)N2CCN(CC(C)C)CC2)CC1.CC(C)CCN1CCC(CC(=O)N2CCN(CC(C)C)CC2)CC1.CC(C)CN1CCC(C(=O)N2CCN(CC(C)C)CC2)CC1.CC(C)CN1CCC(CC(=O)N2CCN(CC(C)C)CC2)CC1.CC(C)CN1CCN(C(=O)C2CCN(C(=O)C(C)C)CC2)CC1.CC(C)CN1CCN(C(=O)CC2CCN(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of 2-[1-(3-methylbutyl)piperidin-4-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;[1-(3-methylbutyl)piperidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;2-methyl-1-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-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 FRIYCXMQIOESMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O.C19H35N3O2.2C19H37N3O.C18H33N3O2.C18H35N3O/c1-17(2)5-8-21-9-6-19(7-10-21)15-20(24)23-13-11-22(12-14-23)16-18(3)4;1-15(2)14-20-9-11-21(12-10-20)18(23)13-17-5-7-22(8-6-17)19(24)16(3)4;1-16(2)5-8-20-9-6-18(7-10-20)19(23)22-13-11-21(12-14-22)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)13-19-9-11-21(12-10-19)18(23)16-5-7-20(8-6-16)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 2-[1-(3-methylbutyl)piperidin-4-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;[1-(3-methylbutyl)piperidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;2-methyl-1-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-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?
2-[1-(3-methylbutyl)piperidin-4-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;[1-(3-methylbutyl)piperidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;2-methyl-1-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-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 2-[1-(3-methylbutyl)piperidin-4-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;[1-(3-methylbutyl)piperidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;2-methyl-1-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-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 167569213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).