N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide

C19H27N3O2 — CID 125446192

IUPACN-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(O)(c2cccnc2)CC1)C1=CCCCC1
InChIInChI=1S/C19H27N3O2/c1-15(16-6-3-2-4-7-16)21-18(23)22-12-9-19(24,10-13-22)17-8-5-11-20-14-17/h5-6,8,11,14-15,24H,2-4,7,9-10,12-13H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyAXWZIYJIGJVTAE-OAHLLOKOSA-N
MW329.44 g/mol
LogP2.96
Rot. Bonds3

About N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide

N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 125446192) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID125446192
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(O)(c2cccnc2)CC1)C1=CCCCC1
InChIInChI=1S/C19H27N3O2/c1-15(16-6-3-2-4-7-16)21-18(23)22-12-9-19(24,10-13-22)17-8-5-11-20-14-17/h5-6,8,11,14-15,24H,2-4,7,9-10,12-13H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyAXWZIYJIGJVTAE-OAHLLOKOSA-N
XLogP2.96
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide
CID 164643241
N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446435
cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone
CID 126432712
4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide
CID 121497817
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 72877334
N-(3-fluorophenyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446453
9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66755240
(4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 97112054
1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 126468362
ethyl 3-hydroxy-3-pyridin-3-ylpyrrolidine-1-carboxylate
CID 86101343

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide (CID 125446192) is N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide is C[C@@H](NC(=O)N1CCC(O)(c2cccnc2)CC1)C1=CCCCC1.
What is the InChIKey of N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is AXWZIYJIGJVTAE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15(16-6-3-2-4-7-16)21-18(23)22-12-9-19(24,10-13-22)17-8-5-11-20-14-17/h5-6,8,11,14-15,24H,2-4,7,9-10,12-13H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide?
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 125446192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).