(3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide

C24H41N3O2 — CID 42355782

IUPAC(3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCCC1)[C@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C24H41N3O2/c28-22-13-12-20(18-27(22)21-10-4-1-2-5-11-21)23(29)25-19-24(14-6-7-15-24)26-16-8-3-9-17-26/h20-21H,1-19H2,(H,25,29)/t20-/m0/s1
InChIKeyJBQWEWSFACOECP-FQEVSTJZSA-N
MW403.61 g/mol
LogP3.86
Rot. Bonds5

About (3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide

(3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide (PubChem CID 42355782) has the molecular formula C24H41N3O2 and a molecular weight of 403.61 g/mol. Its IUPAC name is (3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide
PubChem CID42355782
Molecular FormulaC24H41N3O2
Molecular Weight403.61 g/mol
Exact Mass403.32
IUPAC Name(3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCCC1)[C@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C24H41N3O2/c28-22-13-12-20(18-27(22)21-10-4-1-2-5-11-21)23(29)25-19-24(14-6-7-15-24)26-16-8-3-9-17-26/h20-21H,1-19H2,(H,25,29)/t20-/m0/s1
InChIKeyJBQWEWSFACOECP-FQEVSTJZSA-N
XLogP3.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.61
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195493
1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
CID 45195665
(3S)-1-cycloheptyl-N-(2-methoxy-2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 42286966
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide
CID 63006010
1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
CID 44827692
(3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide
CID 42154087
(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97130097
(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25480878
(3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 42245576
1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 45238528
(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 97144634
(3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42241808

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide (CID 42355782) is (3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide is O=C(NCC1(N2CCCCC2)CCCC1)[C@H]1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide?
The InChIKey is JBQWEWSFACOECP-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H41N3O2/c28-22-13-12-20(18-27(22)21-10-4-1-2-5-11-21)23(29)25-19-24(14-6-7-15-24)26-16-8-3-9-17-26/h20-21H,1-19H2,(H,25,29)/t20-/m0/s1.
What are the key properties of (3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide?
(3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide has a molecular weight of 403.61 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 42355782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).