1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone

C20H35N3O2 — CID 176683784

IUPAC1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
SMILESCC(=O)C1CCC(C(=O)N2CCCC(CN3CCN(C)CC3)C2)CC1
InChIInChI=1S/C20H35N3O2/c1-16(24)18-5-7-19(8-6-18)20(25)23-9-3-4-17(15-23)14-22-12-10-21(2)11-13-22/h17-19H,3-15H2,1-2H3
InChIKeyDCFBTJAVBUTDCZ-UHFFFAOYSA-N
MW349.52 g/mol
LogP1.87
Rot. Bonds4

About 1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone

1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone (PubChem CID 176683784) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
PubChem CID176683784
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
SMILESCC(=O)C1CCC(C(=O)N2CCCC(CN3CCN(C)CC3)C2)CC1
InChIInChI=1S/C20H35N3O2/c1-16(24)18-5-7-19(8-6-18)20(25)23-9-3-4-17(15-23)14-22-12-10-21(2)11-13-22/h17-19H,3-15H2,1-2H3
InChIKeyDCFBTJAVBUTDCZ-UHFFFAOYSA-N
XLogP1.87
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexyl]ethanone
CID 176683929
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 89469188
cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 91919810
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683548
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
(3-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875727
cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 43589536
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone?
The IUPAC name of 1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone (CID 176683784) is 1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone.
What is the SMILES notation for 1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone?
The canonical SMILES for 1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone is CC(=O)C1CCC(C(=O)N2CCCC(CN3CCN(C)CC3)C2)CC1.
What is the InChIKey of 1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone?
The InChIKey is DCFBTJAVBUTDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-16(24)18-5-7-19(8-6-18)20(25)23-9-3-4-17(15-23)14-22-12-10-21(2)11-13-22/h17-19H,3-15H2,1-2H3.
What are the key properties of 1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone?
1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone has a molecular weight of 349.52 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone is sourced from PubChem (CID 176683784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).