N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide

C15H18ClN3O3 — CID 112991929

IUPACN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
SMILESCC(=O)N1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClN3O3/c1-11(20)18-6-8-19(9-7-18)14(21)10-17-15(22)12-2-4-13(16)5-3-12/h2-5H,6-10H2,1H3,(H,17,22)
InChIKeyMAWAXZAUTCIEHU-UHFFFAOYSA-N
MW323.78 g/mol
LogP0.76
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide (PubChem CID 112991929) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
PubChem CID112991929
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
SMILESCC(=O)N1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClN3O3/c1-11(20)18-6-8-19(9-7-18)14(21)10-17-15(22)12-2-4-13(16)5-3-12/h2-5H,6-10H2,1H3,(H,17,22)
InChIKeyMAWAXZAUTCIEHU-UHFFFAOYSA-N
XLogP0.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
4-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 43391762
4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958174
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 4779688
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55551154
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide
CID 51161836
1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462507
4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
CID 64722179
4-(chloromethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 113405963
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide
CID 38027747

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide (CID 112991929) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide is CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide?
The InChIKey is MAWAXZAUTCIEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-11(20)18-6-8-19(9-7-18)14(21)10-17-15(22)12-2-4-13(16)5-3-12/h2-5H,6-10H2,1H3,(H,17,22).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide?
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide has a molecular weight of 323.78 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide is sourced from PubChem (CID 112991929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).