(3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide

C22H33N3O2 — CID 42292351

IUPAC(3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
SMILESO=C(NCCCCc1ccccn1)[C@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C22H33N3O2/c26-21-14-13-18(17-25(21)20-11-3-1-2-4-12-20)22(27)24-16-8-6-10-19-9-5-7-15-23-19/h5,7,9,15,18,20H,1-4,6,8,10-14,16-17H2,(H,24,27)/t18-/m0/s1
InChIKeyQPXRBNOCVVKLFS-SFHVURJKSA-N
MW371.53 g/mol
LogP3.48
Rot. Bonds7

About (3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide

(3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide (PubChem CID 42292351) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is (3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
PubChem CID42292351
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name(3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
SMILESO=C(NCCCCc1ccccn1)[C@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C22H33N3O2/c26-21-14-13-18(17-25(21)20-11-3-1-2-4-12-20)22(27)24-16-8-6-10-19-9-5-7-15-23-19/h5,7,9,15,18,20H,1-4,6,8,10-14,16-17H2,(H,24,27)/t18-/m0/s1
InChIKeyQPXRBNOCVVKLFS-SFHVURJKSA-N
XLogP3.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.48
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-cyclopentyl-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 94181168
1-(cyclohexylmethyl)-6-oxo-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45188915
6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022
1-cyclohexyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 17257395
1-cycloheptyl-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 72877964
(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
1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 45220426
(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 97144634
(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 42291904
N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide
CID 118773857
(3S)-1-cyclopentyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 97141950

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide (CID 42292351) is (3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide is O=C(NCCCCc1ccccn1)[C@H]1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide?
The InChIKey is QPXRBNOCVVKLFS-SFHVURJKSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-21-14-13-18(17-25(21)20-11-3-1-2-4-12-20)22(27)24-16-8-6-10-19-9-5-7-15-23-19/h5,7,9,15,18,20H,1-4,6,8,10-14,16-17H2,(H,24,27)/t18-/m0/s1.
What are the key properties of (3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide?
(3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.48, 7 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-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 42292351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).