1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid

C16H20ClNO3 — CID 63134129

IUPAC1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C16H20ClNO3/c1-2-16(15(20)21)8-5-9-18(11-16)14(19)10-12-6-3-4-7-13(12)17/h3-4,6-7H,2,5,8-11H2,1H3,(H,20,21)
InChIKeyTZVWTZPHOYBUBV-UHFFFAOYSA-N
MW309.79 g/mol
LogP2.99
Rot. Bonds4

About 1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid

1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid (PubChem CID 63134129) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
PubChem CID63134129
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C16H20ClNO3/c1-2-16(15(20)21)8-5-9-18(11-16)14(19)10-12-6-3-4-7-13(12)17/h3-4,6-7H,2,5,8-11H2,1H3,(H,20,21)
InChIKeyTZVWTZPHOYBUBV-UHFFFAOYSA-N
XLogP2.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 80722620
(3R)-3-ethyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 97113303
(3R)-1-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 97116487
1-[2-(3-bromophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134622
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727404
1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63138228
4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 80722619
1-(3-chlorobenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134559
3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 63134703
4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63124786
1-[2-(2-chlorophenoxy)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136958

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid (CID 63134129) is 1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is TZVWTZPHOYBUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-2-16(15(20)21)8-5-9-18(11-16)14(19)10-12-6-3-4-7-13(12)17/h3-4,6-7H,2,5,8-11H2,1H3,(H,20,21).
What are the key properties of 1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid?
1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 309.79 g/mol, XLogP of 2.99, 4 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]-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63134129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).