(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone

C19H18Cl2N2O2 — CID 39565886

IUPAC(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-13-3-2-4-14(11-13)18(24)22-7-9-23(10-8-22)19(25)15-5-6-16(20)17(21)12-15/h2-6,11-12H,7-10H2,1H3
InChIKeyMFIFIAYGHJYNDC-UHFFFAOYSA-N
MW377.27 g/mol
LogP3.90
Rot. Bonds2

About (3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone

(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone (PubChem CID 39565886) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
PubChem CID39565886
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-13-3-2-4-14(11-13)18(24)22-7-9-23(10-8-22)19(25)15-5-6-16(20)17(21)12-15/h2-6,11-12H,7-10H2,1H3
InChIKeyMFIFIAYGHJYNDC-UHFFFAOYSA-N
XLogP3.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080273
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080334
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080198
(3,4-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822759
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone
CID 108543910
[4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113077014

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone (CID 39565886) is (3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone is Cc1cccc(C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is MFIFIAYGHJYNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-13-3-2-4-14(11-13)18(24)22-7-9-23(10-8-22)19(25)15-5-6-16(20)17(21)12-15/h2-6,11-12H,7-10H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 377.27 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 39565886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).