5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide

C22H32ClN3O3 — CID 56546311

IUPAC5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H32ClN3O3/c1-3-12-24(13-4-2)20(27)6-5-7-21(28)25-14-16-26(17-15-25)22(29)18-8-10-19(23)11-9-18/h8-11H,3-7,12-17H2,1-2H3
InChIKeyVIDAWSZPWXIGIJ-UHFFFAOYSA-N
MW421.97 g/mol
LogP3.44
Rot. Bonds9

About 5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide

5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide (PubChem CID 56546311) has the molecular formula C22H32ClN3O3 and a molecular weight of 421.97 g/mol. Its IUPAC name is 5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide.

Molecular Properties

Compound Name5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
PubChem CID56546311
Molecular FormulaC22H32ClN3O3
Molecular Weight421.97 g/mol
Exact Mass421.21
IUPAC Name5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H32ClN3O3/c1-3-12-24(13-4-2)20(27)6-5-7-21(28)25-14-16-26(17-15-25)22(29)18-8-10-19(23)11-9-18/h8-11H,3-7,12-17H2,1-2H3
InChIKeyVIDAWSZPWXIGIJ-UHFFFAOYSA-N
XLogP3.44
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]propan-1-one
CID 108536950
1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799985
N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119241
5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 56552908
1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
CID 78848555
2-(4-chlorophenyl)-1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 110365210
4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide
CID 38027747
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444
(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777474
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 108544814
N-[2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]-N-methylacetamide
CID 136578938
5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
CID 56550200

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide?
The IUPAC name of 5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide (CID 56546311) is 5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide.
What is the SMILES notation for 5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide?
The canonical SMILES for 5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide is CCCN(CCC)C(=O)CCCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide?
The InChIKey is VIDAWSZPWXIGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3O3/c1-3-12-24(13-4-2)20(27)6-5-7-21(28)25-14-16-26(17-15-25)22(29)18-8-10-19(23)11-9-18/h8-11H,3-7,12-17H2,1-2H3.
What are the key properties of 5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide?
5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide has a molecular weight of 421.97 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide is sourced from PubChem (CID 56546311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).