N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide

C17H23N3O — CID 42961571

IUPACN-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CCN(c2ccccn2)CC1)C1CC=CCC1
InChIInChI=1S/C17H23N3O/c21-17(14-6-2-1-3-7-14)19-15-9-12-20(13-10-15)16-8-4-5-11-18-16/h1-2,4-5,8,11,14-15H,3,6-7,9-10,12-13H2,(H,19,21)
InChIKeyCURKEIYIRJHMLA-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.52
Rot. Bonds3

About N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide

N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 42961571) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
PubChem CID42961571
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CCN(c2ccccn2)CC1)C1CC=CCC1
InChIInChI=1S/C17H23N3O/c21-17(14-6-2-1-3-7-14)19-15-9-12-20(13-10-15)16-8-4-5-11-18-16/h1-2,4-5,8,11,14-15H,3,6-7,9-10,12-13H2,(H,19,21)
InChIKeyCURKEIYIRJHMLA-UHFFFAOYSA-N
XLogP2.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 97415247
N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 44761689
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
(1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 100744073
N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675354
2-amino-N-(1-pyridin-2-ylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 64823326
(1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 100744723
N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115706396
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119854534
N-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide
CID 82906568
2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide (CID 42961571) is N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide is O=C(NC1CCN(c2ccccn2)CC1)C1CC=CCC1.
What is the InChIKey of N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is CURKEIYIRJHMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-17(14-6-2-1-3-7-14)19-15-9-12-20(13-10-15)16-8-4-5-11-18-16/h1-2,4-5,8,11,14-15H,3,6-7,9-10,12-13H2,(H,19,21).
What are the key properties of N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide?
N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42961571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).