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

C19H25N5O — CID 53192477

IUPAC2-cyclopentyl-1-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(c2nc(-c3ccncc3)n[nH]2)CC1
InChIInChI=1S/C19H25N5O/c25-17(13-14-3-1-2-4-14)24-11-7-16(8-12-24)19-21-18(22-23-19)15-5-9-20-10-6-15/h5-6,9-10,14,16H,1-4,7-8,11-13H2,(H,21,22,23)
InChIKeyVBYFXUNZMVTJDN-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.15
Rot. Bonds4

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

2-cyclopentyl-1-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 53192477) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
PubChem CID53192477
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-cyclopentyl-1-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(c2nc(-c3ccncc3)n[nH]2)CC1
InChIInChI=1S/C19H25N5O/c25-17(13-14-3-1-2-4-14)24-11-7-16(8-12-24)19-21-18(22-23-19)15-5-9-20-10-6-15/h5-6,9-10,14,16H,1-4,7-8,11-13H2,(H,21,22,23)
InChIKeyVBYFXUNZMVTJDN-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone (CID 53192477) is 2-cyclopentyl-1-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(c2nc(-c3ccncc3)n[nH]2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is VBYFXUNZMVTJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-17(13-14-3-1-2-4-14)24-11-7-16(8-12-24)19-21-18(22-23-19)15-5-9-20-10-6-15/h5-6,9-10,14,16H,1-4,7-8,11-13H2,(H,21,22,23).
What are the key properties of 2-cyclopentyl-1-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-(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-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53192477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).