N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide

C24H29N3O2 — CID 119047961

IUPACN-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide
SMILESCC(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(C4CCC4)cc3)cc2)CC1
InChIInChI=1S/C24H29N3O2/c1-18(28)27-15-13-26(14-16-27)17-19-5-11-23(12-6-19)25-24(29)22-9-7-21(8-10-22)20-3-2-4-20/h5-12,20H,2-4,13-17H2,1H3,(H,25,29)
InChIKeyQMNHMFXKBDFGQK-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.87
Rot. Bonds5

About N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide

N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide (PubChem CID 119047961) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide.

Molecular Properties

Compound NameN-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide
PubChem CID119047961
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide
SMILESCC(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(C4CCC4)cc3)cc2)CC1
InChIInChI=1S/C24H29N3O2/c1-18(28)27-15-13-26(14-16-27)17-19-5-11-23(12-6-19)25-24(29)22-9-7-21(8-10-22)20-3-2-4-20/h5-12,20H,2-4,13-17H2,1H3,(H,25,29)
InChIKeyQMNHMFXKBDFGQK-UHFFFAOYSA-N
XLogP3.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide
CID 119047990
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide
CID 68867201
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
CID 144711597
CID 144711597
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 53277962
N-(4-tert-butylphenyl)-4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]benzamide
CID 44530075
N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide
CID 95176105

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide?
The IUPAC name of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide (CID 119047961) is N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide.
What is the SMILES notation for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide?
The canonical SMILES for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide is CC(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(C4CCC4)cc3)cc2)CC1.
What is the InChIKey of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide?
The InChIKey is QMNHMFXKBDFGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18(28)27-15-13-26(14-16-27)17-19-5-11-23(12-6-19)25-24(29)22-9-7-21(8-10-22)20-3-2-4-20/h5-12,20H,2-4,13-17H2,1H3,(H,25,29).
What are the key properties of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide?
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide has a molecular weight of 391.52 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide is sourced from PubChem (CID 119047961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).