2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide

C18H27N3O2 — CID 8597427

IUPAC2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)CN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-3-7-10-19-17(22)15-20-11-13-21(14-12-20)18(23)16-8-5-4-6-9-16/h4-6,8-9H,2-3,7,10-15H2,1H3,(H,19,22)
InChIKeyPJQQHNCGYHKFBL-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.75
Rot. Bonds7

About 2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide

2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide (PubChem CID 8597427) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
PubChem CID8597427
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)CN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-3-7-10-19-17(22)15-20-11-13-21(14-12-20)18(23)16-8-5-4-6-9-16/h4-6,8-9H,2-3,7,10-15H2,1H3,(H,19,22)
InChIKeyPJQQHNCGYHKFBL-UHFFFAOYSA-N
XLogP1.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 27741719
N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide
CID 43020080
N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
CID 35358737
2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide
CID 18082973
N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
4-benzoyl-N-butylpiperazine-1-carbothioamide
CID 7945044
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
N-butyl-2-[4-[4-(1,3-dithian-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 18163281
N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide
CID 43020077
2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
CID 108995511
N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310
N-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide
CID 17463637

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide (CID 8597427) is 2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide is CCCCCNC(=O)CN1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide?
The InChIKey is PJQQHNCGYHKFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-3-7-10-19-17(22)15-20-11-13-21(14-12-20)18(23)16-8-5-4-6-9-16/h4-6,8-9H,2-3,7,10-15H2,1H3,(H,19,22).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide?
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide has a molecular weight of 317.43 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide is sourced from PubChem (CID 8597427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).