1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide

C16H28N2O2S — CID 45195665

IUPAC1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
SMILESCSCCNC(=O)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C16H28N2O2S/c1-21-11-10-17-16(20)13-8-9-15(19)18(12-13)14-6-4-2-3-5-7-14/h13-14H,2-12H2,1H3,(H,17,20)
InChIKeyKDHNRFPSIUWIRZ-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.43
Rot. Bonds5

About 1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide

1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 45195665) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
PubChem CID45195665
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
SMILESCSCCNC(=O)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C16H28N2O2S/c1-21-11-10-17-16(20)13-8-9-15(19)18(12-13)14-6-4-2-3-5-7-14/h13-14H,2-12H2,1H3,(H,17,20)
InChIKeyKDHNRFPSIUWIRZ-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.43
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

(3S)-1-cycloheptyl-N-(2-methoxy-2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 42286966
(3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide
CID 97120250
1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195493
(3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide
CID 42525281
(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97130097
(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
(3S)-1-cyclopentyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 97141950
(3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide
CID 42355782
1-cyclopentyl-N-[(2,3-difluoro-4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817350
1-cycloheptyl-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 72877964
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide (CID 45195665) is 1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide is CSCCNC(=O)C1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is KDHNRFPSIUWIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-21-11-10-17-16(20)13-8-9-15(19)18(12-13)14-6-4-2-3-5-7-14/h13-14H,2-12H2,1H3,(H,17,20).
What are the key properties of 1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide?
1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 312.48 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45195665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).