1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide

C21H32N4O2 — CID 72899173

IUPAC1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCC1(Cn2ccnc2)CC1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C21H32N4O2/c26-19-7-6-18(13-25(19)12-17-4-2-1-3-5-17)20(27)23-14-21(8-9-21)15-24-11-10-22-16-24/h10-11,16-18H,1-9,12-15H2,(H,23,27)
InChIKeyBASNIBHGHWYZCZ-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.60
Rot. Bonds7

About 1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 72899173) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide
PubChem CID72899173
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCC1(Cn2ccnc2)CC1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C21H32N4O2/c26-19-7-6-18(13-25(19)12-17-4-2-1-3-5-17)20(27)23-14-21(8-9-21)15-24-11-10-22-16-24/h10-11,16-18H,1-9,12-15H2,(H,23,27)
InChIKeyBASNIBHGHWYZCZ-UHFFFAOYSA-N
XLogP2.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 72914179
(3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 95046843
1-(cyclohexylmethyl)-6-oxo-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45188915
1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817829
(3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 25379201
1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
CID 45201964
1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 45189845
1-(cyclohexylmethyl)-6-oxo-N-[(5-oxo-1,4-dihydropyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 162153722
(3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 42591687
(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
CID 26330034
(3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 25454472
(3S)-N-(2-imidazol-1-ylethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 97146221

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide (CID 72899173) is 1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide is O=C(NCC1(Cn2ccnc2)CC1)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is BASNIBHGHWYZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c26-19-7-6-18(13-25(19)12-17-4-2-1-3-5-17)20(27)23-14-21(8-9-21)15-24-11-10-22-16-24/h10-11,16-18H,1-9,12-15H2,(H,23,27).
What are the key properties of 1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 72899173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).