2-phenyl-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one

C20H21N5O2 — CID 137299455

IUPAC2-phenyl-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one
SMILESO=C(Cc1ccccn1)N1CCC(c2nn(-c3ccccc3)c(=O)[nH]2)CC1
InChIInChI=1S/C20H21N5O2/c26-18(14-16-6-4-5-11-21-16)24-12-9-15(10-13-24)19-22-20(27)25(23-19)17-7-2-1-3-8-17/h1-8,11,15H,9-10,12-14H2,(H,22,23,27)
InChIKeyQWJQFZLJLFOBBB-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.90
Rot. Bonds4

About 2-phenyl-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one

2-phenyl-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one (PubChem CID 137299455) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-phenyl-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-phenyl-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one
PubChem CID137299455
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-phenyl-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one
SMILESO=C(Cc1ccccn1)N1CCC(c2nn(-c3ccccc3)c(=O)[nH]2)CC1
InChIInChI=1S/C20H21N5O2/c26-18(14-16-6-4-5-11-21-16)24-12-9-15(10-13-24)19-22-20(27)25(23-19)17-7-2-1-3-8-17/h1-8,11,15H,9-10,12-14H2,(H,22,23,27)
InChIKeyQWJQFZLJLFOBBB-UHFFFAOYSA-N
XLogP1.90
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one
CID 137299392
5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-phenyl-4H-1,2,4-triazol-3-one
CID 137299501
5-[1-(4-methylbenzoyl)piperidin-4-yl]-2-phenyl-4H-1,2,4-triazol-3-one
CID 137299319
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
5-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-2-pyridin-2-yl-4H-1,2,4-triazol-3-one
CID 137291269
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 77091494
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
2-(4-methoxyphenyl)-5-[1-(2-pyridin-2-ylethyl)piperidin-3-yl]-4H-1,2,4-triazol-3-one
CID 177143789
2-benzyl-5-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one
CID 137299556
4-(2-pyridin-2-ylacetyl)piperazin-2-one
CID 62850564
(4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97452786

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-phenyl-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one (CID 137299455) is 2-phenyl-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-phenyl-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-phenyl-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one is O=C(Cc1ccccn1)N1CCC(c2nn(-c3ccccc3)c(=O)[nH]2)CC1.
What is the InChIKey of 2-phenyl-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one?
The InChIKey is QWJQFZLJLFOBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-18(14-16-6-4-5-11-21-16)24-12-9-15(10-13-24)19-22-20(27)25(23-19)17-7-2-1-3-8-17/h1-8,11,15H,9-10,12-14H2,(H,22,23,27).
What are the key properties of 2-phenyl-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one?
2-phenyl-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one has a molecular weight of 363.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 137299455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).