3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one

C17H19N3O — CID 75506314

IUPAC3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one
SMILESCc1ccccc1C1C(=O)NCCN1Cc1ccccn1
InChIInChI=1S/C17H19N3O/c1-13-6-2-3-8-15(13)16-17(21)19-10-11-20(16)12-14-7-4-5-9-18-14/h2-9,16H,10-12H2,1H3,(H,19,21)
InChIKeyRPFRSQNTBCMKHI-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.06
Rot. Bonds3

About 3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one

3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one (PubChem CID 75506314) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one
PubChem CID75506314
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one
SMILESCc1ccccc1C1C(=O)NCCN1Cc1ccccn1
InChIInChI=1S/C17H19N3O/c1-13-6-2-3-8-15(13)16-17(21)19-10-11-20(16)12-14-7-4-5-9-18-14/h2-9,16H,10-12H2,1H3,(H,19,21)
InChIKeyRPFRSQNTBCMKHI-UHFFFAOYSA-N
XLogP2.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one
CID 99578521
4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one
CID 86791204
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one
CID 75506316
3-(2-methylphenyl)-4-propanoylpiperazin-2-one
CID 110657143
(3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one
CID 124616795
(2R)-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 67972243
[3-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 102788259
4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657157
4-(3,3-dimethylbutanoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657246
3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
CID 110657182
N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 110657229
4-methyl-3-pyridin-2-ylpiperazin-2-one
CID 168921321

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one?
The IUPAC name of 3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one (CID 75506314) is 3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one.
What is the SMILES notation for 3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one?
The canonical SMILES for 3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one is Cc1ccccc1C1C(=O)NCCN1Cc1ccccn1.
What is the InChIKey of 3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one?
The InChIKey is RPFRSQNTBCMKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-6-2-3-8-15(13)16-17(21)19-10-11-20(16)12-14-7-4-5-9-18-14/h2-9,16H,10-12H2,1H3,(H,19,21).
What are the key properties of 3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one?
3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one is sourced from PubChem (CID 75506314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).