3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide

C15H19N5O2 — CID 110901464

IUPAC3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)N1CCCC(O)C1
InChIInChI=1S/C15H19N5O2/c21-14-2-1-7-19(9-14)15(22)17-8-12-3-5-13(6-4-12)20-11-16-10-18-20/h3-6,10-11,14,21H,1-2,7-9H2,(H,17,22)
InChIKeyGUGDHBRFTVGIFA-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.93
Rot. Bonds3

About 3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide

3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 110901464) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID110901464
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)N1CCCC(O)C1
InChIInChI=1S/C15H19N5O2/c21-14-2-1-7-19(9-14)15(22)17-8-12-3-5-13(6-4-12)20-11-16-10-18-20/h3-6,10-11,14,21H,1-2,7-9H2,(H,17,22)
InChIKeyGUGDHBRFTVGIFA-UHFFFAOYSA-N
XLogP0.93
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 111443773
4-[[[(3S)-3-hydroxypiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020589
(2S)-2-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]thiomorpholine-4-carboxamide
CID 95930549
2-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]thiomorpholine-4-carboxamide
CID 71868517
1-(3,4-dichlorobenzoyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 55795782
(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 125445470
3-hydroxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 110895552
(2S)-3-cyclohexyl-2-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 129433174
2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 119866390
1-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119866385
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 87002970
3,3-difluoro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 136539200

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide (CID 110901464) is 3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide is O=C(NCc1ccc(-n2cncn2)cc1)N1CCCC(O)C1.
What is the InChIKey of 3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is GUGDHBRFTVGIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-14-2-1-7-19(9-14)15(22)17-8-12-3-5-13(6-4-12)20-11-16-10-18-20/h3-6,10-11,14,21H,1-2,7-9H2,(H,17,22).
What are the key properties of 3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide?
3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 110901464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).