4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide

C17H24ClN3O2 — CID 110358821

IUPAC4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(CC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-3-20(4-2)17(23)21-11-9-19(10-12-21)13-16(22)14-5-7-15(18)8-6-14/h5-8H,3-4,9-13H2,1-2H3
InChIKeyAJBDRRUQHQFWSZ-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.60
Rot. Bonds5

About 4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide

4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide (PubChem CID 110358821) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
PubChem CID110358821
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(CC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-3-20(4-2)17(23)21-11-9-19(10-12-21)13-16(22)14-5-7-15(18)8-6-14/h5-8H,3-4,9-13H2,1-2H3
InChIKeyAJBDRRUQHQFWSZ-UHFFFAOYSA-N
XLogP2.60
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 110358781
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110358779
1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421828
4-[2-(4-fluorophenyl)-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358984
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone
CID 110358796
4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37192606
1-(4-chlorophenyl)-2-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]ethanone
CID 110358816
1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61216135
1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 110358782
N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
CID 110365441
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 71873173
4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide
CID 79161963

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide (CID 110358821) is 4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(CC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is AJBDRRUQHQFWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-3-20(4-2)17(23)21-11-9-19(10-12-21)13-16(22)14-5-7-15(18)8-6-14/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide?
4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 110358821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).