(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

C18H19ClN2O — CID 42891355

IUPAC(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc(Cl)c2)C(c2ccccc2)C1
InChIInChI=1S/C18H19ClN2O/c1-20-10-11-21(17(13-20)14-6-3-2-4-7-14)18(22)15-8-5-9-16(19)12-15/h2-9,12,17H,10-11,13H2,1H3
InChIKeyICTAGYGJNXRUEX-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.47
Rot. Bonds2

About (3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (PubChem CID 42891355) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is (3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
PubChem CID42891355
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc(Cl)c2)C(c2ccccc2)C1
InChIInChI=1S/C18H19ClN2O/c1-20-10-11-21(17(13-20)14-6-3-2-4-7-14)18(22)15-8-5-9-16(19)12-15/h2-9,12,17H,10-11,13H2,1H3
InChIKeyICTAGYGJNXRUEX-UHFFFAOYSA-N
XLogP3.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 37333010
2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one
CID 134042687
(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 25489891
(3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46533935
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
(3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
CID 95974609
(2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 167526074
(2,3-dimethyl-1H-indol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332978
(2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 34230461

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (CID 42891355) is (3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cccc(Cl)c2)C(c2ccccc2)C1.
What is the InChIKey of (3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The InChIKey is ICTAGYGJNXRUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-20-10-11-21(17(13-20)14-6-3-2-4-7-14)18(22)15-8-5-9-16(19)12-15/h2-9,12,17H,10-11,13H2,1H3.
What are the key properties of (3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone has a molecular weight of 314.82 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 42891355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).