3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one

C20H25N3O2 — CID 56880850

IUPAC3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCN(C)C(c3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C20H25N3O2/c1-14(2)17-10-9-16(19(24)21-17)20(25)23-12-11-22(3)18(13-23)15-7-5-4-6-8-15/h4-10,14,18H,11-13H2,1-3H3,(H,21,24)
InChIKeyKWOXHJCWPXYTAH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.63
Rot. Bonds3

About 3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one

3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 56880850) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
PubChem CID56880850
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCN(C)C(c3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C20H25N3O2/c1-14(2)17-10-9-16(19(24)21-17)20(25)23-12-11-22(3)18(13-23)15-7-5-4-6-8-15/h4-10,14,18H,11-13H2,1-3H3,(H,21,24)
InChIKeyKWOXHJCWPXYTAH-UHFFFAOYSA-N
XLogP2.63
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
CID 119065374
(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110602874
(2-fluorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418472
2-[(3S)-4-methyl-3-phenylpiperazine-1-carbonyl]benzonitrile
CID 99994815
(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418480
(1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 125001754
3-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 70715383
3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 46969823
6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56870455
4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 95194210
3-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
CID 154564346
(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 86285379

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one (CID 56880850) is 3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(C(=O)N2CCN(C)C(c3ccccc3)C2)c(=O)[nH]1.
What is the InChIKey of 3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is KWOXHJCWPXYTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)17-10-9-16(19(24)21-17)20(25)23-12-11-22(3)18(13-23)15-7-5-4-6-8-15/h4-10,14,18H,11-13H2,1-3H3,(H,21,24).
What are the key properties of 3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one?
3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 56880850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).