N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide

C18H27N3O — CID 46384630

IUPACN-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(c2ccncc2)C1
InChIInChI=1S/C18H27N3O/c22-18(20-16-7-3-1-2-4-8-16)15-6-5-13-21(14-15)17-9-11-19-12-10-17/h9-12,15-16H,1-8,13-14H2,(H,20,22)
InChIKeyINDCZIMZJFCKGG-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.14
Rot. Bonds3

About N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide

N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 46384630) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
PubChem CID46384630
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(c2ccncc2)C1
InChIInChI=1S/C18H27N3O/c22-18(20-16-7-3-1-2-4-8-16)15-6-5-13-21(14-15)17-9-11-19-12-10-17/h9-12,15-16H,1-8,13-14H2,(H,20,22)
InChIKeyINDCZIMZJFCKGG-UHFFFAOYSA-N
XLogP3.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 58585895
N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384645
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
(3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882153
1-(3-chloro-4-pyridinyl)-N-cyclopropylpiperidine-3-carboxamide
CID 165434408
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384657
N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070976
N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071425
(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882098
(3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 92884372
(3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 94467987

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide (CID 46384630) is N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide is O=C(NC1CCCCCC1)C1CCCN(c2ccncc2)C1.
What is the InChIKey of N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is INDCZIMZJFCKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18(20-16-7-3-1-2-4-8-16)15-6-5-13-21(14-15)17-9-11-19-12-10-17/h9-12,15-16H,1-8,13-14H2,(H,20,22).
What are the key properties of N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide?
N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46384630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).