1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

C18H23ClN2O3 — CID 122123979

IUPAC1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC2CC(c3ccccc3Cl)C2)C1
InChIInChI=1S/C18H23ClN2O3/c1-11-6-13(17(22)23)10-21(9-11)18(24)20-14-7-12(8-14)15-4-2-3-5-16(15)19/h2-5,11-14H,6-10H2,1H3,(H,20,24)(H,22,23)
InChIKeyVJGNYVJHMKVGHT-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.34
Rot. Bonds3

About 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122123979) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122123979
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC2CC(c3ccccc3Cl)C2)C1
InChIInChI=1S/C18H23ClN2O3/c1-11-6-13(17(22)23)10-21(9-11)18(24)20-14-7-12(8-14)15-4-2-3-5-16(15)19/h2-5,11-14H,6-10H2,1H3,(H,20,24)(H,22,23)
InChIKeyVJGNYVJHMKVGHT-UHFFFAOYSA-N
XLogP3.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015654
5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122123028
1-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123219
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
1-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123712
5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid
CID 122123842
5-methyl-1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122122094
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124059
4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122015655
5-methyl-1-[[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122123907
1-[[1-(2-chlorophenyl)-1-methoxypropan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123510
1-[2-(2-chlorophenyl)sulfanylacetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119308

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122123979) is 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NC2CC(c3ccccc3Cl)C2)C1.
What is the InChIKey of 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is VJGNYVJHMKVGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-11-6-13(17(22)23)10-21(9-11)18(24)20-14-7-12(8-14)15-4-2-3-5-16(15)19/h2-5,11-14H,6-10H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 350.85 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122123979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).