N-cyclopentyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C17H23N7O — CID 91913588

IUPACN-cyclopentyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCCC1c1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C17H23N7O/c25-17(20-12-5-1-2-6-12)24-10-4-3-7-14(24)16-21-15(22-23-16)13-11-18-8-9-19-13/h8-9,11-12,14H,1-7,10H2,(H,20,25)(H,21,22,23)
InChIKeyHSIDOXOTVNVHTN-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.44
Rot. Bonds3

About N-cyclopentyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-cyclopentyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 91913588) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID91913588
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-cyclopentyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCCC1c1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C17H23N7O/c25-17(20-12-5-1-2-6-12)24-10-4-3-7-14(24)16-21-15(22-23-16)13-11-18-8-9-19-13/h8-9,11-12,14H,1-7,10H2,(H,20,25)(H,21,22,23)
InChIKeyHSIDOXOTVNVHTN-UHFFFAOYSA-N
XLogP2.44
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 91913588) is N-cyclopentyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is O=C(NC1CCCC1)N1CCCCC1c1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of N-cyclopentyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is HSIDOXOTVNVHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c25-17(20-12-5-1-2-6-12)24-10-4-3-7-14(24)16-21-15(22-23-16)13-11-18-8-9-19-13/h8-9,11-12,14H,1-7,10H2,(H,20,25)(H,21,22,23).
What are the key properties of N-cyclopentyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-cyclopentyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 91913588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).