N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide

C15H19N3O2 — CID 110896566

IUPACN-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(O)C1)c1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O2/c1-11(13-6-4-12(9-16)5-7-13)17-15(20)18-8-2-3-14(19)10-18/h4-7,11,14,19H,2-3,8,10H2,1H3,(H,17,20)
InChIKeyGBVKDZOBXFKGOE-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.79
Rot. Bonds2

About N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide

N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 110896566) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID110896566
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(O)C1)c1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O2/c1-11(13-6-4-12(9-16)5-7-13)17-15(20)18-8-2-3-14(19)10-18/h4-7,11,14,19H,2-3,8,10H2,1H3,(H,17,20)
InChIKeyGBVKDZOBXFKGOE-UHFFFAOYSA-N
XLogP1.79
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide
CID 47254048
4-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]sulfanylbenzonitrile
CID 110932052
3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 110894959
N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 49286927
N-[1-(4-cyanophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134035121
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
(3S)-1-[1-(4-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119655
N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 110895511
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 61438878
(2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573372

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide (CID 110896566) is N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide is CC(NC(=O)N1CCCC(O)C1)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is GBVKDZOBXFKGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(13-6-4-12(9-16)5-7-13)17-15(20)18-8-2-3-14(19)10-18/h4-7,11,14,19H,2-3,8,10H2,1H3,(H,17,20).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide?
N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 110896566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).