N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide

C21H23N5O — CID 121165108

IUPACN-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCC(n2nccn2)CC1
InChIInChI=1S/C21H23N5O/c27-21(25-15-11-19(12-16-25)26-22-13-14-23-26)24-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,13-14,19-20H,11-12,15-16H2,(H,24,27)
InChIKeyDACPWCRGXUFDPH-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.41
Rot. Bonds4

About N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide

N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide (PubChem CID 121165108) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide
PubChem CID121165108
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCC(n2nccn2)CC1
InChIInChI=1S/C21H23N5O/c27-21(25-15-11-19(12-16-25)26-22-13-14-23-26)24-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,13-14,19-20H,11-12,15-16H2,(H,24,27)
InChIKeyDACPWCRGXUFDPH-UHFFFAOYSA-N
XLogP3.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 121160469
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164762
N-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide
CID 121157128
ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
CID 108867399
N-benzhydryl-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 21037675
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121165130
N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 24794972
N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637150
N-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
CID 90592379
N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide
CID 10204752
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide (CID 121165108) is N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)N1CCC(n2nccn2)CC1.
What is the InChIKey of N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide?
The InChIKey is DACPWCRGXUFDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(25-15-11-19(12-16-25)26-22-13-14-23-26)24-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,13-14,19-20H,11-12,15-16H2,(H,24,27).
What are the key properties of N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide?
N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 121165108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).