N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide

C24H29N3O4 — CID 46653980

IUPACN-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H29N3O4/c1-2-3-17-31-21-11-9-19(10-12-21)23(29)25-18-22(28)26-13-15-27(16-14-26)24(30)20-7-5-4-6-8-20/h4-12H,2-3,13-18H2,1H3,(H,25,29)
InChIKeyGGGZWXRHJLGNOJ-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.58
Rot. Bonds8

About N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide

N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide (PubChem CID 46653980) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide
PubChem CID46653980
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H29N3O4/c1-2-3-17-31-21-11-9-19(10-12-21)23(29)25-18-22(28)26-13-15-27(16-14-26)24(30)20-7-5-4-6-8-20/h4-12H,2-3,13-18H2,1H3,(H,25,29)
InChIKeyGGGZWXRHJLGNOJ-UHFFFAOYSA-N
XLogP2.58
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.58
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

4-butoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 38321399
4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 7923150
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-4-butoxybenzamide
CID 27510251
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
4-butoxy-N-[2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 55548234
4-butoxy-N-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]benzamide
CID 2544715
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108543980
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide
CID 17388059
4-butoxy-N-[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 87042207
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
4-butoxy-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 30953662

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide (CID 46653980) is N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide is CCCCOc1ccc(C(=O)NCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide?
The InChIKey is GGGZWXRHJLGNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-2-3-17-31-21-11-9-19(10-12-21)23(29)25-18-22(28)26-13-15-27(16-14-26)24(30)20-7-5-4-6-8-20/h4-12H,2-3,13-18H2,1H3,(H,25,29).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide?
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide has a molecular weight of 423.51 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide is sourced from PubChem (CID 46653980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).