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

C15H19N5O2 — CID 121165118

IUPACN-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(n3nccn3)CC2)cc1
InChIInChI=1S/C15H19N5O2/c1-22-14-4-2-12(3-5-14)18-15(21)19-10-6-13(7-11-19)20-16-8-9-17-20/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,18,21)
InChIKeyKTAIKGUZXUMSMQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.16
Rot. Bonds3

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

N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide (PubChem CID 121165118) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
PubChem CID121165118
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(n3nccn3)CC2)cc1
InChIInChI=1S/C15H19N5O2/c1-22-14-4-2-12(3-5-14)18-15(21)19-10-6-13(7-11-19)20-16-8-9-17-20/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,18,21)
InChIKeyKTAIKGUZXUMSMQ-UHFFFAOYSA-N
XLogP2.16
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165128
N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 121190717
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
1-[[4-(4-methoxyphenyl)sulfanylphenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122079306
N-(4-methoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
CID 134804410
N-(4-methoxyphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
CID 110195212
N-(4-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098532
N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824394

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide (CID 121165118) is N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(n3nccn3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The InChIKey is KTAIKGUZXUMSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-22-14-4-2-12(3-5-14)18-15(21)19-10-6-13(7-11-19)20-16-8-9-17-20/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,18,21).
What are the key properties of N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 121165118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).