4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one

C14H17ClN2O2 — CID 63605975

IUPAC4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-9(17-8-7-16-14(19)10(17)2)13(18)11-3-5-12(15)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,16,19)
InChIKeyRWAZJPHCUOJVHQ-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.73
Rot. Bonds3

About 4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one

4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one (PubChem CID 63605975) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one
PubChem CID63605975
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-9(17-8-7-16-14(19)10(17)2)13(18)11-3-5-12(15)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,16,19)
InChIKeyRWAZJPHCUOJVHQ-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one
CID 63601850
(3R)-3-methyl-4-propan-2-ylpiperazin-2-one
CID 176773649
4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one
CID 103779351
4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one
CID 74239154
4-chloro-2-(2-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 114845046
3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110420160
4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-methylpiperazin-2-one
CID 64695732
1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one
CID 61421542
(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
CID 25283883
4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one
CID 63594897
4-(4-acetylphenyl)-3-methylpiperazin-2-one
CID 55216694
1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 62037525

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one (CID 63605975) is 4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one?
The InChIKey is RWAZJPHCUOJVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9(17-8-7-16-14(19)10(17)2)13(18)11-3-5-12(15)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one?
4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one has a molecular weight of 280.75 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63605975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).