N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C15H16F3N3O2 — CID 71991819

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCCC(CO)C2)cc1C(F)(F)F
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)13-6-12(4-3-11(13)7-19)20-14(23)21-5-1-2-10(8-21)9-22/h3-4,6,10,22H,1-2,5,8-9H2,(H,20,23)
InChIKeyKUZUMRGTZVBKMK-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.81
Rot. Bonds2

About N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 71991819) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID71991819
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCCC(CO)C2)cc1C(F)(F)F
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)13-6-12(4-3-11(13)7-19)20-14(23)21-5-1-2-10(8-21)9-22/h3-4,6,10,22H,1-2,5,8-9H2,(H,20,23)
InChIKeyKUZUMRGTZVBKMK-UHFFFAOYSA-N
XLogP2.81
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide
CID 47197599
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide
CID 47197271
2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
CID 61200700
(3R)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530938
(3S)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530937
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
3-[4-cyano-3-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 65484763
(3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide
CID 97455461
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 86988216
N-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide
CID 79193474
4-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 43320702

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 71991819) is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide is N#Cc1ccc(NC(=O)N2CCCC(CO)C2)cc1C(F)(F)F.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is KUZUMRGTZVBKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c16-15(17,18)13-6-12(4-3-11(13)7-19)20-14(23)21-5-1-2-10(8-21)9-22/h3-4,6,10,22H,1-2,5,8-9H2,(H,20,23).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71991819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).