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

C17H24ClN3O2 — CID 119704901

IUPAC2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-3-8-17(2,19)16(23)21-11-9-20(10-12-21)15(22)13-4-6-14(18)7-5-13/h4-7H,3,8-12,19H2,1-2H3
InChIKeyPBGQVLQFPUPDBQ-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.14
Rot. Bonds4

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

2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one (PubChem CID 119704901) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one
PubChem CID119704901
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-3-8-17(2,19)16(23)21-11-9-20(10-12-21)15(22)13-4-6-14(18)7-5-13/h4-7H,3,8-12,19H2,1-2H3
InChIKeyPBGQVLQFPUPDBQ-UHFFFAOYSA-N
XLogP2.14
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119704945
2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119710130
2-amino-1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119747881
2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119743474
(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777474
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709754
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
CID 110346370
2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 119293260
(2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119279414
2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one
CID 60848035
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 63340870
(2S)-2-amino-1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one
CID 119747798

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one (CID 119704901) is 2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one is CCCC(C)(N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one?
The InChIKey is PBGQVLQFPUPDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-3-8-17(2,19)16(23)21-11-9-20(10-12-21)15(22)13-4-6-14(18)7-5-13/h4-7H,3,8-12,19H2,1-2H3.
What are the key properties of 2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one?
2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one has a molecular weight of 337.85 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 119704901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).