(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide

C15H23N7O — CID 97076083

IUPAC(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
SMILESCn1cnnc1[C@@H]1CCCN(C(=O)NCCCn2cccn2)C1
InChIInChI=1S/C15H23N7O/c1-20-12-17-19-14(20)13-5-2-8-21(11-13)15(23)16-6-3-9-22-10-4-7-18-22/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3,(H,16,23)/t13-/m1/s1
InChIKeyUAQBNMIJZQMSPV-CYBMUJFWSA-N
MW317.40 g/mol
LogP0.99
Rot. Bonds5

About (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide

(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide (PubChem CID 97076083) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
PubChem CID97076083
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
SMILESCn1cnnc1[C@@H]1CCCN(C(=O)NCCCn2cccn2)C1
InChIInChI=1S/C15H23N7O/c1-20-12-17-19-14(20)13-5-2-8-21(11-13)15(23)16-6-3-9-22-10-4-7-18-22/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3,(H,16,23)/t13-/m1/s1
InChIKeyUAQBNMIJZQMSPV-CYBMUJFWSA-N
XLogP0.99
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)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

(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1-carboxamide
CID 97076085
3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 110895928
(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 95153240
(3S)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 95134206
(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 95278223
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 94172075
(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97074016
ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 61072127
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 95129687
N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 94180666
4-hydroxy-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 79203756
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide (CID 97076083) is (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide is Cn1cnnc1[C@@H]1CCCN(C(=O)NCCCn2cccn2)C1.
What is the InChIKey of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide?
The InChIKey is UAQBNMIJZQMSPV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N7O/c1-20-12-17-19-14(20)13-5-2-8-21(11-13)15(23)16-6-3-9-22-10-4-7-18-22/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3,(H,16,23)/t13-/m1/s1.
What are the key properties of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide?
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 97076083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).