4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide

C21H27N3O — CID 144947702

IUPAC4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
SMILESO=C(NCCCCN1CCNCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H27N3O/c25-21(23-12-4-5-15-24-16-13-22-14-17-24)20-10-8-19(9-11-20)18-6-2-1-3-7-18/h1-3,6-11,22H,4-5,12-17H2,(H,23,25)
InChIKeyFDQYCJDVNPXSSR-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.77
Rot. Bonds7

About 4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide

4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide (PubChem CID 144947702) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide.

Molecular Properties

Compound Name4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
PubChem CID144947702
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
SMILESO=C(NCCCCN1CCNCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H27N3O/c25-21(23-12-4-5-15-24-16-13-22-14-17-24)20-10-8-19(9-11-20)18-6-2-1-3-7-18/h1-3,6-11,22H,4-5,12-17H2,(H,23,25)
InChIKeyFDQYCJDVNPXSSR-UHFFFAOYSA-N
XLogP2.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393529
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447831
5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride
CID 119392506
N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 119391850
4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119393528
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide?
The IUPAC name of 4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide (CID 144947702) is 4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide.
What is the SMILES notation for 4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide?
The canonical SMILES for 4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide is O=C(NCCCCN1CCNCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide?
The InChIKey is FDQYCJDVNPXSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-21(23-12-4-5-15-24-16-13-22-14-17-24)20-10-8-19(9-11-20)18-6-2-1-3-7-18/h1-3,6-11,22H,4-5,12-17H2,(H,23,25).
What are the key properties of 4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide?
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide has a molecular weight of 337.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide is sourced from PubChem (CID 144947702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).