4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one

C21H25ClN2O — CID 67226198

IUPAC4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NCCN1Cc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O/c1-15(2)13-20-21(25)23-11-12-24(20)14-17-5-3-4-6-19(17)16-7-9-18(22)10-8-16/h3-10,15,20H,11-14H2,1-2H3,(H,23,25)
InChIKeyPMQZRPPPGJWMNK-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.35
Rot. Bonds5

About 4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one

4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one (PubChem CID 67226198) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one
PubChem CID67226198
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NCCN1Cc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O/c1-15(2)13-20-21(25)23-11-12-24(20)14-17-5-3-4-6-19(17)16-7-9-18(22)10-8-16/h3-10,15,20H,11-14H2,1-2H3,(H,23,25)
InChIKeyPMQZRPPPGJWMNK-UHFFFAOYSA-N
XLogP4.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one (CID 67226198) is 4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one is CC(C)CC1C(=O)NCCN1Cc1ccccc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is PMQZRPPPGJWMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-15(2)13-20-21(25)23-11-12-24(20)14-17-5-3-4-6-19(17)16-7-9-18(22)10-8-16/h3-10,15,20H,11-14H2,1-2H3,(H,23,25).
What are the key properties of 4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one?
4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 356.90 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 67226198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).