1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one

C14H19ClN2O2 — CID 120803481

IUPAC1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-10(19-2)14(18)17-7-6-16-9-13(17)11-4-3-5-12(15)8-11/h3-5,8,10,13,16H,6-7,9H2,1-2H3
InChIKeyUAVYFOKBSWUERW-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.85
Rot. Bonds3

About 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one

1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one (PubChem CID 120803481) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one
PubChem CID120803481
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-10(19-2)14(18)17-7-6-16-9-13(17)11-4-3-5-12(15)8-11/h3-5,8,10,13,16H,6-7,9H2,1-2H3
InChIKeyUAVYFOKBSWUERW-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one
CID 120802542
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one
CID 120802086
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 120802410
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one;hydrochloride
CID 120802085
N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 120801926
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120802115
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120803381
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 120803370
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 120802294
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one?
The IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one (CID 120803481) is 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one is COC(C)C(=O)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one?
The InChIKey is UAVYFOKBSWUERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10(19-2)14(18)17-7-6-16-9-13(17)11-4-3-5-12(15)8-11/h3-5,8,10,13,16H,6-7,9H2,1-2H3.
What are the key properties of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one?
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one has a molecular weight of 282.77 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one is sourced from PubChem (CID 120803481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).