(3,4-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

C19H20Cl2N2O — CID 1104880

IUPAC(3,4-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1C
InChIInChI=1S/C19H20Cl2N2O/c1-13-4-3-5-18(14(13)2)22-8-10-23(11-9-22)19(24)15-6-7-16(20)17(21)12-15/h3-7,12H,8-11H2,1-2H3
InChIKeyDSTWZIKPKZBIQI-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.57
Rot. Bonds2

About (3,4-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

(3,4-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 1104880) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID1104880
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name(3,4-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1C
InChIInChI=1S/C19H20Cl2N2O/c1-13-4-3-5-18(14(13)2)22-8-10-23(11-9-22)19(24)15-6-7-16(20)17(21)12-15/h3-7,12H,8-11H2,1-2H3
InChIKeyDSTWZIKPKZBIQI-UHFFFAOYSA-N
XLogP4.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-Chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
3-[(4-chlorobenzoyl)amino]-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664124
1-(4-Chlorobenzoyl)-4-(4-chlorophenyl)piperazine
CID 897167
2-[3-[4-(2,3-Dichlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroisoquinolin-1-one
CID 44582490
Methanone, (4-chlorophenyl)[4-(4-fluorophenyl)-1-piperazinyl]-
CID 720118
1-{4-[4-(3-Chlorobenzoyl)piperazin-1-Yl]phenyl}ethanone
CID 8866783
5-[4-(3-Chlorobenzoyl)piperazin-1-yl]indan-1-one
CID 137653663
1-(3-Chlorophenyl)-4-(3,4-dichlorobenzoyl)piperazine
CID 1070143
1-(3-Chlorophenyl)-4-[(3-chlorophenyl)carbonyl]piperazine
CID 702506
4-(3,4-dichlorobenzoyl)-3-methyl-3,4-dihydro-2(1H)-quinoxalinone
CID 3278385
4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide
CID 558758

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (CID 1104880) is (3,4-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1C.
What is the InChIKey of (3,4-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is DSTWZIKPKZBIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-13-4-3-5-18(14(13)2)22-8-10-23(11-9-22)19(24)15-6-7-16(20)17(21)12-15/h3-7,12H,8-11H2,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 363.29 g/mol, XLogP of 4.57, 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-(2,3-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1104880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).