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

C22H23N5O2 — CID 167793693

IUPAC1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ncn[nH]1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23N5O2/c28-21(25-19(20-23-15-24-26-20)16-7-3-1-4-8-16)17-11-13-27(14-12-17)22(29)18-9-5-2-6-10-18/h1-10,15,17,19H,11-14H2,(H,25,28)(H,23,24,26)
InChIKeyGPFJOVUBMCSUPW-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.56
Rot. Bonds5

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

1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 167793693) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID167793693
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ncn[nH]1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23N5O2/c28-21(25-19(20-23-15-24-26-20)16-7-3-1-4-8-16)17-11-13-27(14-12-17)22(29)18-9-5-2-6-10-18/h1-10,15,17,19H,11-14H2,(H,25,28)(H,23,24,26)
InChIKeyGPFJOVUBMCSUPW-UHFFFAOYSA-N
XLogP2.56
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126471673
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910
(2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367535
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide
CID 103716377
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126474502
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 41441647
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 134035144

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide (CID 167793693) is 1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide is O=C(NC(c1ccccc1)c1ncn[nH]1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is GPFJOVUBMCSUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-21(25-19(20-23-15-24-26-20)16-7-3-1-4-8-16)17-11-13-27(14-12-17)22(29)18-9-5-2-6-10-18/h1-10,15,17,19H,11-14H2,(H,25,28)(H,23,24,26).
What are the key properties of 1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide?
1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 167793693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).