1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide

C14H17N3O2 — CID 128964591

IUPAC1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESN#Cc1ccc(CN2CCCC(O)(C(N)=O)C2)cc1
InChIInChI=1S/C14H17N3O2/c15-8-11-2-4-12(5-3-11)9-17-7-1-6-14(19,10-17)13(16)18/h2-5,19H,1,6-7,9-10H2,(H2,16,18)
InChIKeyMBBBDCVLXWGJQB-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.37
Rot. Bonds3

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

1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 128964591) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID128964591
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESN#Cc1ccc(CN2CCCC(O)(C(N)=O)C2)cc1
InChIInChI=1S/C14H17N3O2/c15-8-11-2-4-12(5-3-11)9-17-7-1-6-14(19,10-17)13(16)18/h2-5,19H,1,6-7,9-10H2,(H2,16,18)
InChIKeyMBBBDCVLXWGJQB-UHFFFAOYSA-N
XLogP0.37
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129483740
(3R)-1-[2-(4-cyanophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129486676
(3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 129484487
4-[(9-acetyl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]benzonitrile
CID 3233592
1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide
CID 130535820
4-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzonitrile
CID 107404533
(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484116
(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484115
3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 128982995
(3S)-1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 100647776
1-[(4-bromo-2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964607
1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964608

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide (CID 128964591) is 1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide is N#Cc1ccc(CN2CCCC(O)(C(N)=O)C2)cc1.
What is the InChIKey of 1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is MBBBDCVLXWGJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-8-11-2-4-12(5-3-11)9-17-7-1-6-14(19,10-17)13(16)18/h2-5,19H,1,6-7,9-10H2,(H2,16,18).
What are the key properties of 1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 128964591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).