1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid

C15H18ClNO3 — CID 104595397

IUPAC1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C15H18ClNO3/c1-15(14(19)20)8-4-5-9-17(15)13(18)10-11-6-2-3-7-12(11)16/h2-3,6-7H,4-5,8-10H2,1H3,(H,19,20)
InChIKeyLBXBFKWMIWKWSB-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.74
Rot. Bonds3

About 1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid

1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104595397) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104595397
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C15H18ClNO3/c1-15(14(19)20)8-4-5-9-17(15)13(18)10-11-6-2-3-7-12(11)16/h2-3,6-7H,4-5,8-10H2,1H3,(H,19,20)
InChIKeyLBXBFKWMIWKWSB-UHFFFAOYSA-N
XLogP2.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595208
1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
CID 104597298
2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid
CID 115270705
2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid
CID 91839356
2-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]piperidine-2-carboxylic acid
CID 104594818
1-[2-(4-chlorophenyl)acetyl]-2-methylazetidine-2-carboxylic acid
CID 70559607
1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65499998
1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134129
2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727404
1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104598178
2-methyl-1-(3-phenylprop-2-ynoyl)piperidine-2-carboxylic acid
CID 104595377
2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid
CID 70557001

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid (CID 104595397) is 1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is LBXBFKWMIWKWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-15(14(19)20)8-4-5-9-17(15)13(18)10-11-6-2-3-7-12(11)16/h2-3,6-7H,4-5,8-10H2,1H3,(H,19,20).
What are the key properties of 1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid?
1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 295.77 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104595397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).