N-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide

C23H29N3O2 — CID 31952128

IUPACN-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide
SMILESO=C(NCCCC(=O)N1CCN(CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c27-22(12-7-14-24-23(28)21-10-5-2-6-11-21)26-18-16-25(17-19-26)15-13-20-8-3-1-4-9-20/h1-6,8-11H,7,12-19H2,(H,24,28)
InChIKeyHZUYITROXSIOHR-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.58
Rot. Bonds8

About N-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide

N-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide (PubChem CID 31952128) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide
PubChem CID31952128
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide
SMILESO=C(NCCCC(=O)N1CCN(CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c27-22(12-7-14-24-23(28)21-10-5-2-6-11-21)26-18-16-25(17-19-26)15-13-20-8-3-1-4-9-20/h1-6,8-11H,7,12-19H2,(H,24,28)
InChIKeyHZUYITROXSIOHR-UHFFFAOYSA-N
XLogP2.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.58
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

tert-butyl N-[6-oxo-6-[4-(2-phenylethyl)piperazin-1-yl]hexyl]carbamate
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N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide
CID 111561014
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
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3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
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N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
N-[4-[4-(2-nitrophenyl)piperazin-1-yl]-4-oxobutyl]benzamide
CID 31235669
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CID 73345882

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of N-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide (CID 31952128) is N-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for N-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for N-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide is O=C(NCCCC(=O)N1CCN(CCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide?
The InChIKey is HZUYITROXSIOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-22(12-7-14-24-23(28)21-10-5-2-6-11-21)26-18-16-25(17-19-26)15-13-20-8-3-1-4-9-20/h1-6,8-11H,7,12-19H2,(H,24,28).
What are the key properties of N-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide?
N-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 31952128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).