(3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

C19H34N2O3 — CID 25454472

IUPAC(3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H34N2O3/c1-15(2)24-12-6-11-20-19(23)17-9-10-18(22)21(14-17)13-16-7-4-3-5-8-16/h15-17H,3-14H2,1-2H3,(H,20,23)/t17-/m0/s1
InChIKeyQIRWWHSXMTVRKE-KRWDZBQOSA-N
MW338.49 g/mol
LogP2.74
Rot. Bonds8

About (3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

(3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (PubChem CID 25454472) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is (3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
PubChem CID25454472
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name(3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H34N2O3/c1-15(2)24-12-6-11-20-19(23)17-9-10-18(22)21(14-17)13-16-7-4-3-5-8-16/h15-17H,3-14H2,1-2H3,(H,20,23)/t17-/m0/s1
InChIKeyQIRWWHSXMTVRKE-KRWDZBQOSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
CID 45201964
1-(cyclohexylmethyl)-6-oxo-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45188915
1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 45189845
(3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 42591687
1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 72914179
1-(cyclohexylmethyl)-6-oxo-N-[(5-oxo-1,4-dihydropyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 162153722
5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide
CID 3243254
(3S)-1-(cyclohexylmethyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 97122705
(3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97143169
N-[(5-acetyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
CID 159483287
(3R)-6-oxo-N-(2-propan-2-yloxyethyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 97155814
1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817829

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (CID 25454472) is (3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is CC(C)OCCCNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of (3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The InChIKey is QIRWWHSXMTVRKE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-15(2)24-12-6-11-20-19(23)17-9-10-18(22)21(14-17)13-16-7-4-3-5-8-16/h15-17H,3-14H2,1-2H3,(H,20,23)/t17-/m0/s1.
What are the key properties of (3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
(3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide has a molecular weight of 338.49 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 25454472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).