(5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one

C18H26ClN3O2 — CID 126451438

IUPAC(5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one
SMILESCCCC[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)CCCN
InChIInChI=1S/C18H26ClN3O2/c1-2-3-5-16-12-21(15-9-7-14(19)8-10-15)18(24)13-22(16)17(23)6-4-11-20/h7-10,16H,2-6,11-13,20H2,1H3/t16-/m1/s1
InChIKeyUVTMVSPPTHVVGX-MRXNPFEDSA-N
MW351.88 g/mol
LogP2.81
Rot. Bonds7

About (5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one

(5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one (PubChem CID 126451438) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is (5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one
PubChem CID126451438
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name(5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one
SMILESCCCC[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)CCCN
InChIInChI=1S/C18H26ClN3O2/c1-2-3-5-16-12-21(15-9-7-14(19)8-10-15)18(24)13-22(16)17(23)6-4-11-20/h7-10,16H,2-6,11-13,20H2,1H3/t16-/m1/s1
InChIKeyUVTMVSPPTHVVGX-MRXNPFEDSA-N
XLogP2.81
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-butyl-1-(4-chlorophenyl)-4-(3-hydroxypropanoyl)piperazin-2-one
CID 96572867
4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one
CID 70748407
(5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one
CID 96571045
5-butyl-4-(3-hydroxypropanoyl)-1-(3-phenylphenyl)piperazin-2-one
CID 70785641
1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one
CID 70755323
(5S)-4-acetyl-5-butyl-1-(3-phenylphenyl)piperazin-2-one
CID 96572578
(5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one
CID 96575129
6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one
CID 115060311
1-[2-butyl-5-oxo-4-(3-phenylphenyl)piperazin-1-yl]propane-1,2-dione
CID 70730178
1-[(2S)-2-butyl-5-oxo-4-(3-phenylphenyl)piperazin-1-yl]propane-1,2-dione
CID 96574461
3-[2-[(2R)-4-(4-chlorophenyl)-2-methyl-5-oxopiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 96579942
N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119668556

Frequently Asked Questions

What is the IUPAC name of (5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one?
The IUPAC name of (5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one (CID 126451438) is (5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one.
What is the SMILES notation for (5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one?
The canonical SMILES for (5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one is CCCC[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)CCCN.
What is the InChIKey of (5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one?
The InChIKey is UVTMVSPPTHVVGX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-2-3-5-16-12-21(15-9-7-14(19)8-10-15)18(24)13-22(16)17(23)6-4-11-20/h7-10,16H,2-6,11-13,20H2,1H3/t16-/m1/s1.
What are the key properties of (5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one?
(5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one has a molecular weight of 351.88 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one is sourced from PubChem (CID 126451438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).