2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone

C19H25N5O — CID 95111158

IUPAC2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC[C@H](c2nc(-c3ccncc3)n[nH]2)C1
InChIInChI=1S/C19H25N5O/c25-17(12-14-4-1-2-5-14)24-11-3-6-16(13-24)19-21-18(22-23-19)15-7-9-20-10-8-15/h7-10,14,16H,1-6,11-13H2,(H,21,22,23)/t16-/m0/s1
InChIKeyHWPPXVPLESEEOC-INIZCTEOSA-N
MW339.44 g/mol
LogP3.15
Rot. Bonds4

About 2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone

2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 95111158) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
PubChem CID95111158
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC[C@H](c2nc(-c3ccncc3)n[nH]2)C1
InChIInChI=1S/C19H25N5O/c25-17(12-14-4-1-2-5-14)24-11-3-6-16(13-24)19-21-18(22-23-19)15-7-9-20-10-8-15/h7-10,14,16H,1-6,11-13H2,(H,21,22,23)/t16-/m0/s1
InChIKeyHWPPXVPLESEEOC-INIZCTEOSA-N
XLogP3.15
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-phenyl-1-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 53192244
2-phenyl-1-[(3S)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 95111045
2-methoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 53192169
1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192172
2-(2,3-dihydrobenzimidazol-1-yl)-1-[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 123187322
2-cyclohexyl-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 6487204
cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 91913578
2-cyclohexyl-1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110239950
1-[(3S)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 92610461
2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
CID 75517382
[1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 51492718
(4,4-difluoropyrrolidin-2-yl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone;hydrochloride
CID 120955496

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone (CID 95111158) is 2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC[C@H](c2nc(-c3ccncc3)n[nH]2)C1.
What is the InChIKey of 2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is HWPPXVPLESEEOC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N5O/c25-17(12-14-4-1-2-5-14)24-11-3-6-16(13-24)19-21-18(22-23-19)15-7-9-20-10-8-15/h7-10,14,16H,1-6,11-13H2,(H,21,22,23)/t16-/m0/s1.
What are the key properties of 2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 339.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95111158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).