(3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone

C20H22Cl2N2O — CID 22342799

IUPAC(3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc(CC2CNCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1C
InChIInChI=1S/C20H22Cl2N2O/c1-13-3-4-15(7-14(13)2)8-19-12-23-5-6-24(19)20(25)16-9-17(21)11-18(22)10-16/h3-4,7,9-11,19,23H,5-6,8,12H2,1-2H3
InChIKeyOWIJQVPDCCNYIG-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.27
Rot. Bonds3

About (3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone

(3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 22342799) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID22342799
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name(3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc(CC2CNCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1C
InChIInChI=1S/C20H22Cl2N2O/c1-13-3-4-15(7-14(13)2)8-19-12-23-5-6-24(19)20(25)16-9-17(21)11-18(22)10-16/h3-4,7,9-11,19,23H,5-6,8,12H2,1-2H3
InChIKeyOWIJQVPDCCNYIG-UHFFFAOYSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dichlorophenyl)-[(2R)-2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone
CID 54173008
(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 95442733
(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
CID 154574727
[(2R)-2-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 69416873
tert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate
CID 54425425
[2-(aminomethyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 113415445
3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119470635
N-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 54003797
1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81315811
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-[(3,4-dimethylphenyl)methyl]-4-[3-[(2S)-morpholin-2-yl]prop-2-enyl]piperazin-1-yl]methanone
CID 57241429
[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-[(3,4-dimethylphenyl)methyl]-4-[(E)-3-[(2R)-morpholin-2-yl]prop-2-enyl]piperazin-1-yl]methanone
CID 87947123

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone (CID 22342799) is (3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone is Cc1ccc(CC2CNCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1C.
What is the InChIKey of (3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is OWIJQVPDCCNYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-13-3-4-15(7-14(13)2)8-19-12-23-5-6-24(19)20(25)16-9-17(21)11-18(22)10-16/h3-4,7,9-11,19,23H,5-6,8,12H2,1-2H3.
What are the key properties of (3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone?
(3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 377.32 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 22342799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).