5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one

C12H15ClN2O — CID 116817372

IUPAC5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one
SMILESCN1CC(Cc2cccc(Cl)c2)NCC1=O
InChIInChI=1S/C12H15ClN2O/c1-15-8-11(14-7-12(15)16)6-9-3-2-4-10(13)5-9/h2-5,11,14H,6-8H2,1H3
InChIKeyYDLOFCXRHCCOHL-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.31
Rot. Bonds2

About 5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one

5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one (PubChem CID 116817372) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one
PubChem CID116817372
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one
SMILESCN1CC(Cc2cccc(Cl)c2)NCC1=O
InChIInChI=1S/C12H15ClN2O/c1-15-8-11(14-7-12(15)16)6-9-3-2-4-10(13)5-9/h2-5,11,14H,6-8H2,1H3
InChIKeyYDLOFCXRHCCOHL-UHFFFAOYSA-N
XLogP1.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Uamc00039
CID 11232124
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CID 2290457
(S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-piperidin-1-yl-butan-1-one
CID 10019118
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
(2S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide
CID 2117006
2-(4-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 2232369
2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4881897
2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 4883960
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 4884539
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(2-methyl-piperidin-1-yl)-butan-1-one
CID 11359214

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one (CID 116817372) is 5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one is CN1CC(Cc2cccc(Cl)c2)NCC1=O.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one?
The InChIKey is YDLOFCXRHCCOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-15-8-11(14-7-12(15)16)6-9-3-2-4-10(13)5-9/h2-5,11,14H,6-8H2,1H3.
What are the key properties of 5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one?
5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one has a molecular weight of 238.72 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 116817372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).