1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one

C20H21ClN2O2 — CID 120802746

IUPAC1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(C(=O)N2CCNCC2c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H21ClN2O2/c1-2-19(24)14-6-8-15(9-7-14)20(25)23-11-10-22-13-18(23)16-4-3-5-17(21)12-16/h3-9,12,18,22H,2,10-11,13H2,1H3
InChIKeyIEHXJUAPRUGNIB-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.72
Rot. Bonds4

About 1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one

1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one (PubChem CID 120802746) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
PubChem CID120802746
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(C(=O)N2CCNCC2c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H21ClN2O2/c1-2-19(24)14-6-8-15(9-7-14)20(25)23-11-10-22-13-18(23)16-4-3-5-17(21)12-16/h3-9,12,18,22H,2,10-11,13H2,1H3
InChIKeyIEHXJUAPRUGNIB-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
[2-(3-chlorophenyl)piperazin-1-yl]-[4-(3-methoxypropoxy)phenyl]methanone;hydrochloride
CID 120802735
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 120803370
[2-(3-chlorophenyl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 120802367
[2-(3-chlorophenyl)piperazin-1-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methanone
CID 166298561
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
[2-(3-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone;hydrochloride
CID 120803568
[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 120803298
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 120802410
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120802183
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
CID 120802549

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one?
The IUPAC name of 1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one (CID 120802746) is 1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one is CCC(=O)c1ccc(C(=O)N2CCNCC2c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one?
The InChIKey is IEHXJUAPRUGNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-2-19(24)14-6-8-15(9-7-14)20(25)23-11-10-22-13-18(23)16-4-3-5-17(21)12-16/h3-9,12,18,22H,2,10-11,13H2,1H3.
What are the key properties of 1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one?
1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one has a molecular weight of 356.85 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one is sourced from PubChem (CID 120802746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).