N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C22H25N5O2 — CID 126783649

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1cccc(CO)c1)N1CCCC(c2nc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C22H25N5O2/c28-15-17-7-4-6-16(12-17)13-23-22(29)27-11-5-10-19(14-27)21-24-20(25-26-21)18-8-2-1-3-9-18/h1-4,6-9,12,19,28H,5,10-11,13-15H2,(H,23,29)(H,24,25,26)
InChIKeyUCPOVFUNPZKIDN-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.05
Rot. Bonds5

About N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 126783649) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID126783649
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1cccc(CO)c1)N1CCCC(c2nc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C22H25N5O2/c28-15-17-7-4-6-16(12-17)13-23-22(29)27-11-5-10-19(14-27)21-24-20(25-26-21)18-8-2-1-3-9-18/h1-4,6-9,12,19,28H,5,10-11,13-15H2,(H,23,29)(H,24,25,26)
InChIKeyUCPOVFUNPZKIDN-UHFFFAOYSA-N
XLogP3.05
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-1-[(3S)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 95111045
(3S)-N-(2-ethoxyethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97351533
2-methoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 53192169
2-phenyl-1-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 53192244
1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192172
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
CID 75517382
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 84598035
N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 95157984
(3R)-3-cyano-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide
CID 126434904
(3S)-3-cyano-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide
CID 126434903

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 126783649) is N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is O=C(NCc1cccc(CO)c1)N1CCCC(c2nc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is UCPOVFUNPZKIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-15-17-7-4-6-16(12-17)13-23-22(29)27-11-5-10-19(14-27)21-24-20(25-26-21)18-8-2-1-3-9-18/h1-4,6-9,12,19,28H,5,10-11,13-15H2,(H,23,29)(H,24,25,26).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126783649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).