4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide

C24H31N3O3 — CID 22775492

IUPAC4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)CC)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-3-5-18-30-20-12-10-19(11-13-20)24(29)25-21-8-6-7-9-22(21)26-14-16-27(17-15-26)23(28)4-2/h6-13H,3-5,14-18H2,1-2H3,(H,25,29)
InChIKeyWEOYQXILKAZPNO-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.18
Rot. Bonds8

About 4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide

4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide (PubChem CID 22775492) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
PubChem CID22775492
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)CC)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-3-5-18-30-20-12-10-19(11-13-20)24(29)25-21-8-6-7-9-22(21)26-14-16-27(17-15-26)23(28)4-2/h6-13H,3-5,14-18H2,1-2H3,(H,25,29)
InChIKeyWEOYQXILKAZPNO-UHFFFAOYSA-N
XLogP4.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.18
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)phenyl]-4-butoxybenzamide
CID 17388059
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
CID 2949164
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 3410085
4-butoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 2958249
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-ethoxybenzamide
CID 3526541
3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1313458
3-bromo-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 5042834
4-hexoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
CID 4502378
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
2,3,5,6-tetrafluoro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 5138444
4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 7923150
4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 22778153

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide (CID 22775492) is 4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)CC)CC2)cc1.
What is the InChIKey of 4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is WEOYQXILKAZPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-5-18-30-20-12-10-19(11-13-20)24(29)25-21-8-6-7-9-22(21)26-14-16-27(17-15-26)23(28)4-2/h6-13H,3-5,14-18H2,1-2H3,(H,25,29).
What are the key properties of 4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide?
4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 409.53 g/mol, XLogP of 4.18, 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-(4-propanoylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 22775492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).