4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one

C18H21N3O2 — CID 146084829

IUPAC4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccccc1CN1CCN(C(=O)c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C18H21N3O2/c1-14-4-2-3-5-16(14)13-20-8-10-21(11-9-20)18(23)15-6-7-19-17(22)12-15/h2-7,12H,8-11,13H2,1H3,(H,19,22)
InChIKeyORUYNVBQYHQXQW-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.64
Rot. Bonds3

About 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one

4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 146084829) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID146084829
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccccc1CN1CCN(C(=O)c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C18H21N3O2/c1-14-4-2-3-5-16(14)13-20-8-10-21(11-9-20)18(23)15-6-7-19-17(22)12-15/h2-7,12H,8-11,13H2,1H3,(H,19,22)
InChIKeyORUYNVBQYHQXQW-UHFFFAOYSA-N
XLogP1.64
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 110600792
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 103763565
2,3-dihydro-1H-inden-5-yl-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642471
(3-chlorophenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 38991861
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 8642477
methyl 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzoate
CID 8642324
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116501
(2,5-dimethylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642232
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 8641686
N-ethyl-4-(2-oxo-1H-pyridine-4-carbonyl)piperazine-1-carboxamide
CID 103762745

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 146084829) is 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one is Cc1ccccc1CN1CCN(C(=O)c2cc[nH]c(=O)c2)CC1.
What is the InChIKey of 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is ORUYNVBQYHQXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-4-2-3-5-16(14)13-20-8-10-21(11-9-20)18(23)15-6-7-19-17(22)12-15/h2-7,12H,8-11,13H2,1H3,(H,19,22).
What are the key properties of 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 311.38 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 146084829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).