1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide

C20H34N2O3 — CID 45195493

IUPAC1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C20H34N2O3/c23-18-11-10-16(14-22(18)17-8-4-1-2-5-9-17)19(24)21-15-20(25)12-6-3-7-13-20/h16-17,25H,1-15H2,(H,21,24)
InChIKeyAPQPPBIXEATWCJ-UHFFFAOYSA-N
MW350.50 g/mol
LogP2.76
Rot. Bonds4

About 1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide

1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 45195493) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is 1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID45195493
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C20H34N2O3/c23-18-11-10-16(14-22(18)17-8-4-1-2-5-9-17)19(24)21-15-20(25)12-6-3-7-13-20/h16-17,25H,1-15H2,(H,21,24)
InChIKeyAPQPPBIXEATWCJ-UHFFFAOYSA-N
XLogP2.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide
CID 42355782
(3S)-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 25293036
1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
CID 45195665
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
(3S)-1-cycloheptyl-N-(2-methoxy-2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 42286966
1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
CID 44827692
1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517
(3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide
CID 42154087
1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 45238528
(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25480878
(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97130097
(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 97144634

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide (CID 45195493) is 1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide is O=C(NCC1(O)CCCCC1)C1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is APQPPBIXEATWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3/c23-18-11-10-16(14-22(18)17-8-4-1-2-5-9-17)19(24)21-15-20(25)12-6-3-7-13-20/h16-17,25H,1-15H2,(H,21,24).
What are the key properties of 1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide?
1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 350.50 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45195493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).