(6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one

C14H19ClN2O — CID 170200141

IUPAC(6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1NC[C@H](Cc2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C14H19ClN2O/c1-9(2)13-14(18)17-12(8-16-13)7-10-3-5-11(15)6-4-10/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,17,18)/t12-,13?/m0/s1
InChIKeyGGDMFFCNYYZJLT-UEWDXFNNSA-N
MW266.77 g/mol
LogP2.00
Rot. Bonds3

About (6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one

(6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one (PubChem CID 170200141) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one
PubChem CID170200141
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1NC[C@H](Cc2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C14H19ClN2O/c1-9(2)13-14(18)17-12(8-16-13)7-10-3-5-11(15)6-4-10/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,17,18)/t12-,13?/m0/s1
InChIKeyGGDMFFCNYYZJLT-UEWDXFNNSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one?
The IUPAC name of (6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one (CID 170200141) is (6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for (6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for (6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one is CC(C)C1NC[C@H](Cc2ccc(Cl)cc2)NC1=O.
What is the InChIKey of (6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one?
The InChIKey is GGDMFFCNYYZJLT-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9(2)13-14(18)17-12(8-16-13)7-10-3-5-11(15)6-4-10/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,17,18)/t12-,13?/m0/s1.
What are the key properties of (6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one?
(6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one has a molecular weight of 266.77 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 170200141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).