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

C23H28ClN3O — CID 143256950

IUPAC(4-chlorophenyl)-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrrolidin-1-yl]methanone
SMILESCc1cccc(N2CCN(C3CCN(C(=O)c4ccc(Cl)cc4)C3)CC2)c1C
InChIInChI=1S/C23H28ClN3O/c1-17-4-3-5-22(18(17)2)26-14-12-25(13-15-26)21-10-11-27(16-21)23(28)19-6-8-20(24)9-7-19/h3-9,21H,10-16H2,1-2H3
InChIKeyOFGSTXSWCZGADK-UHFFFAOYSA-N
MW397.95 g/mol
LogP3.99
Rot. Bonds3

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

(4-chlorophenyl)-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrrolidin-1-yl]methanone (PubChem CID 143256950) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrrolidin-1-yl]methanone
PubChem CID143256950
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name(4-chlorophenyl)-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrrolidin-1-yl]methanone
SMILESCc1cccc(N2CCN(C3CCN(C(=O)c4ccc(Cl)cc4)C3)CC2)c1C
InChIInChI=1S/C23H28ClN3O/c1-17-4-3-5-22(18(17)2)26-14-12-25(13-15-26)21-10-11-27(16-21)23(28)19-6-8-20(24)9-7-19/h3-9,21H,10-16H2,1-2H3
InChIKeyOFGSTXSWCZGADK-UHFFFAOYSA-N
XLogP3.99
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 143257021
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 113076731
1-[4-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 45208229
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-chlorophenyl)methanone
CID 80552612
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
(4-methoxyphenyl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42855201
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
[4-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 142654850
(4-chlorophenyl)-[(3S)-3-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 143257056
(3-bromophenyl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986000
(4-chlorophenyl)-[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]methanone
CID 124711067

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrrolidin-1-yl]methanone (CID 143256950) is (4-chlorophenyl)-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrrolidin-1-yl]methanone is Cc1cccc(N2CCN(C3CCN(C(=O)c4ccc(Cl)cc4)C3)CC2)c1C.
What is the InChIKey of (4-chlorophenyl)-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrrolidin-1-yl]methanone?
The InChIKey is OFGSTXSWCZGADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c1-17-4-3-5-22(18(17)2)26-14-12-25(13-15-26)21-10-11-27(16-21)23(28)19-6-8-20(24)9-7-19/h3-9,21H,10-16H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrrolidin-1-yl]methanone?
(4-chlorophenyl)-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrrolidin-1-yl]methanone has a molecular weight of 397.95 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 143256950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).