4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide

C23H29N3O3 — CID 7923150

IUPAC4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-2-3-17-29-21-11-9-19(10-12-21)23(28)24-18-22(27)26-15-13-25(14-16-26)20-7-5-4-6-8-20/h4-12H,2-3,13-18H2,1H3,(H,24,28)
InChIKeyFAAOKFLPGLGJQL-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.94
Rot. Bonds8

About 4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide

4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide (PubChem CID 7923150) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
PubChem CID7923150
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-2-3-17-29-21-11-9-19(10-12-21)23(28)24-18-22(27)26-15-13-25(14-16-26)20-7-5-4-6-8-20/h4-12H,2-3,13-18H2,1H3,(H,24,28)
InChIKeyFAAOKFLPGLGJQL-UHFFFAOYSA-N
XLogP2.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide
CID 46653980
4-butoxy-N-[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 87042207
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-4-butoxybenzamide
CID 27510251
4-butoxy-N-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]benzamide
CID 2544715
4-butoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 38321399
4-pentoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide
CID 17175938
4-fluoro-N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 58462406
4-butoxy-N-[2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 55548234
4-ethoxy-N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9415430
4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 9243282
4-butoxy-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 30953662
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide (CID 7923150) is 4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is FAAOKFLPGLGJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-3-17-29-21-11-9-19(10-12-21)23(28)24-18-22(27)26-15-13-25(14-16-26)20-7-5-4-6-8-20/h4-12H,2-3,13-18H2,1H3,(H,24,28).
What are the key properties of 4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 7923150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).