N-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide

C20H31N3OS — CID 72902609

IUPACN-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCCCSC1CCCCC1)C1CCCN(c2ccccn2)C1
InChIInChI=1S/C20H31N3OS/c24-20(22-13-7-15-25-18-9-2-1-3-10-18)17-8-6-14-23(16-17)19-11-4-5-12-21-19/h4-5,11-12,17-18H,1-3,6-10,13-16H2,(H,22,24)
InChIKeyPISXDKWTOZASPE-UHFFFAOYSA-N
MW361.56 g/mol
LogP3.87
Rot. Bonds7

About N-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide

N-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 72902609) has the molecular formula C20H31N3OS and a molecular weight of 361.56 g/mol. Its IUPAC name is N-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID72902609
Molecular FormulaC20H31N3OS
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC NameN-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCCCSC1CCCCC1)C1CCCN(c2ccccn2)C1
InChIInChI=1S/C20H31N3OS/c24-20(22-13-7-15-25-18-9-2-1-3-10-18)17-8-6-14-23(16-17)19-11-4-5-12-21-19/h4-5,11-12,17-18H,1-3,6-10,13-16H2,(H,22,24)
InChIKeyPISXDKWTOZASPE-UHFFFAOYSA-N
XLogP3.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(2-benzylsulfanylethyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94149399
(3S)-1-(1H-benzimidazol-2-yl)-N-(3-cyclohexylsulfanylpropyl)piperidine-3-carboxamide
CID 92716100
(3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 124839677
(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 99957148
(3R)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 99957145
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94824323
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
(3R)-N-(3,5-dimethylphenyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 51962224
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 3681923
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
(3S)-N-(3-phenylpropyl)-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95070038

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide (CID 72902609) is N-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide is O=C(NCCCSC1CCCCC1)C1CCCN(c2ccccn2)C1.
What is the InChIKey of N-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is PISXDKWTOZASPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3OS/c24-20(22-13-7-15-25-18-9-2-1-3-10-18)17-8-6-14-23(16-17)19-11-4-5-12-21-19/h4-5,11-12,17-18H,1-3,6-10,13-16H2,(H,22,24).
What are the key properties of N-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide?
N-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 361.56 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 72902609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).