1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone

C15H19ClN2O — CID 55130715

IUPAC1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C3CC3)CC2)c(Cl)c1
InChIInChI=1S/C15H19ClN2O/c1-11(19)12-2-5-15(14(16)10-12)18-8-6-17(7-9-18)13-3-4-13/h2,5,10,13H,3-4,6-9H2,1H3
InChIKeyUSLDLXBUXYIJOP-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.83
Rot. Bonds3

About 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone

1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone (PubChem CID 55130715) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone
PubChem CID55130715
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C3CC3)CC2)c(Cl)c1
InChIInChI=1S/C15H19ClN2O/c1-11(19)12-2-5-15(14(16)10-12)18-8-6-17(7-9-18)13-3-4-13/h2,5,10,13H,3-4,6-9H2,1H3
InChIKeyUSLDLXBUXYIJOP-UHFFFAOYSA-N
XLogP2.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)phenyl]ethanone
CID 106669916
1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone
CID 106836224
1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone
CID 63158222
4-acetyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]benzonitrile
CID 133458213
1-[3-chloro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethanone
CID 94830564
1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone
CID 114678928
1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine
CID 138531687
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909724
4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one
CID 64693225
4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
CID 61441707
1-[3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 64599153
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone (CID 55130715) is 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2CCN(C3CC3)CC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone?
The InChIKey is USLDLXBUXYIJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-11(19)12-2-5-15(14(16)10-12)18-8-6-17(7-9-18)13-3-4-13/h2,5,10,13H,3-4,6-9H2,1H3.
What are the key properties of 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone?
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone has a molecular weight of 278.78 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone is sourced from PubChem (CID 55130715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).