(4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone

C20H23ClN2O — CID 110657704

IUPAC(4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2)CC(C)N1Cc1ccccc1
InChIInChI=1S/C20H23ClN2O/c1-15-12-22(20(24)18-9-6-10-19(21)11-18)13-16(2)23(15)14-17-7-4-3-5-8-17/h3-11,15-16H,12-14H2,1-2H3
InChIKeyPEJMRWUVPUVKDQ-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.07
Rot. Bonds3

About (4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone

(4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone (PubChem CID 110657704) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is (4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone
PubChem CID110657704
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name(4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2)CC(C)N1Cc1ccccc1
InChIInChI=1S/C20H23ClN2O/c1-15-12-22(20(24)18-9-6-10-19(21)11-18)13-16(2)23(15)14-17-7-4-3-5-8-17/h3-11,15-16H,12-14H2,1-2H3
InChIKeyPEJMRWUVPUVKDQ-UHFFFAOYSA-N
XLogP4.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
CID 110657689
4-[[(3R,5S)-4-[(3-chlorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259846
(3-bromophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658298
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751
2-[1-(3-chlorobenzoyl)azetidin-3-yl]acetic acid
CID 64603115
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one
CID 110393858
(3S,4R)-1-(3-chlorobenzoyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 166330987
(3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658326
ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate
CID 110393902
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one
CID 110393863
(3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110393968

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone (CID 110657704) is (4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone is CC1CN(C(=O)c2cccc(Cl)c2)CC(C)N1Cc1ccccc1.
What is the InChIKey of (4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone?
The InChIKey is PEJMRWUVPUVKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-15-12-22(20(24)18-9-6-10-19(21)11-18)13-16(2)23(15)14-17-7-4-3-5-8-17/h3-11,15-16H,12-14H2,1-2H3.
What are the key properties of (4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone?
(4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone has a molecular weight of 342.87 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 110657704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).