1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one

C15H19ClN2O2 — CID 110365462

IUPAC1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H19ClN2O2/c1-11(2)14(19)17-7-9-18(10-8-17)15(20)12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3
InChIKeyGLNWAFXFRGOICR-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.28
Rot. Bonds2

About 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 110365462) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID110365462
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H19ClN2O2/c1-11(2)14(19)17-7-9-18(10-8-17)15(20)12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3
InChIKeyGLNWAFXFRGOICR-UHFFFAOYSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 60637351
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
(2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076207
1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 51251435
2-[4-(2-chlorobenzoyl)piperazin-1-yl]propanethioamide
CID 63340028
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 2050566
4-chloro-N-[2-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 46564162
1-(2-chlorobenzoyl)piperidin-4-one
CID 24693065
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one (CID 110365462) is 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is GLNWAFXFRGOICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-11(2)14(19)17-7-9-18(10-8-17)15(20)12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 294.78 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 110365462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).