N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide

C24H29N3O2 — CID 119047990

IUPACN-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide
SMILESCC(=O)N1CCN(Cc2cccc(NC(=O)c3ccc(C4CCC4)cc3)c2)CC1
InChIInChI=1S/C24H29N3O2/c1-18(28)27-14-12-26(13-15-27)17-19-4-2-7-23(16-19)25-24(29)22-10-8-21(9-11-22)20-5-3-6-20/h2,4,7-11,16,20H,3,5-6,12-15,17H2,1H3,(H,25,29)
InChIKeyWNRXRQUIIDJDAN-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.87
Rot. Bonds5

About N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide

N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide (PubChem CID 119047990) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide.

Molecular Properties

Compound NameN-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide
PubChem CID119047990
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide
SMILESCC(=O)N1CCN(Cc2cccc(NC(=O)c3ccc(C4CCC4)cc3)c2)CC1
InChIInChI=1S/C24H29N3O2/c1-18(28)27-14-12-26(13-15-27)17-19-4-2-7-23(16-19)25-24(29)22-10-8-21(9-11-22)20-5-3-6-20/h2,4,7-11,16,20H,3,5-6,12-15,17H2,1H3,(H,25,29)
InChIKeyWNRXRQUIIDJDAN-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-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide
CID 119047961
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 52690341
4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872345
1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901666
tert-butyl 4-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-1,4-diazepane-1-carboxylate
CID 177335680
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
1-[[3-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768003
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
4-cyano-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide;formic acid
CID 154912066
N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]naphthalene-2-carboxamide
CID 44536805

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide?
The IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide (CID 119047990) is N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide.
What is the SMILES notation for N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide?
The canonical SMILES for N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide is CC(=O)N1CCN(Cc2cccc(NC(=O)c3ccc(C4CCC4)cc3)c2)CC1.
What is the InChIKey of N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide?
The InChIKey is WNRXRQUIIDJDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18(28)27-14-12-26(13-15-27)17-19-4-2-7-23(16-19)25-24(29)22-10-8-21(9-11-22)20-5-3-6-20/h2,4,7-11,16,20H,3,5-6,12-15,17H2,1H3,(H,25,29).
What are the key properties of N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide?
N-[3-[(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-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide is sourced from PubChem (CID 119047990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).