N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide

C21H27N3O — CID 14162480

IUPACN-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
SMILESO=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H27N3O/c25-21(19-9-3-1-4-10-19)22-13-7-8-14-23-15-17-24(18-16-23)20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2,(H,22,25)
InChIKeySPKHLKULRLEZKZ-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.02
Rot. Bonds7

About N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide

N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide (PubChem CID 14162480) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
PubChem CID14162480
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
SMILESO=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H27N3O/c25-21(19-9-3-1-4-10-19)22-13-7-8-14-23-15-17-24(18-16-23)20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2,(H,22,25)
InChIKeySPKHLKULRLEZKZ-UHFFFAOYSA-N
XLogP3.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide?
The IUPAC name of N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide (CID 14162480) is N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide.
What is the SMILES notation for N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide?
The canonical SMILES for N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide is O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide?
The InChIKey is SPKHLKULRLEZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-21(19-9-3-1-4-10-19)22-13-7-8-14-23-15-17-24(18-16-23)20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2,(H,22,25).
What are the key properties of N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide?
N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide has a molecular weight of 337.47 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide is sourced from PubChem (CID 14162480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).