(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide

C13H19N7O — CID 95278223

IUPAC(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
SMILESCn1cnnc1[C@H]1CCCN(C(=O)NCc2ccn[nH]2)C1
InChIInChI=1S/C13H19N7O/c1-19-9-16-18-12(19)10-3-2-6-20(8-10)13(21)14-7-11-4-5-15-17-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,14,21)(H,15,17)/t10-/m0/s1
InChIKeyVVUWRDWTXWKCQA-JTQLQIEISA-N
MW289.34 g/mol
LogP0.63
Rot. Bonds3

About (3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide

(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide (PubChem CID 95278223) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is (3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
PubChem CID95278223
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
SMILESCn1cnnc1[C@H]1CCCN(C(=O)NCc2ccn[nH]2)C1
InChIInChI=1S/C13H19N7O/c1-19-9-16-18-12(19)10-3-2-6-20(8-10)13(21)14-7-11-4-5-15-17-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,14,21)(H,15,17)/t10-/m0/s1
InChIKeyVVUWRDWTXWKCQA-JTQLQIEISA-N
XLogP0.63
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide (CID 95278223) is (3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide is Cn1cnnc1[C@H]1CCCN(C(=O)NCc2ccn[nH]2)C1.
What is the InChIKey of (3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide?
The InChIKey is VVUWRDWTXWKCQA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N7O/c1-19-9-16-18-12(19)10-3-2-6-20(8-10)13(21)14-7-11-4-5-15-17-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,14,21)(H,15,17)/t10-/m0/s1.
What are the key properties of (3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide?
(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95278223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).