1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

C18H23FN2O3 — CID 122123924

IUPAC1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCc2ccc(C3CC3)cc2F)C1
InChIInChI=1S/C18H23FN2O3/c1-11-6-15(17(22)23)10-21(9-11)18(24)20-8-14-5-4-13(7-16(14)19)12-2-3-12/h4-5,7,11-12,15H,2-3,6,8-10H2,1H3,(H,20,24)(H,22,23)
InChIKeyCTAVNWUVRFGIMJ-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.96
Rot. Bonds4

About 1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122123924) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122123924
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCc2ccc(C3CC3)cc2F)C1
InChIInChI=1S/C18H23FN2O3/c1-11-6-15(17(22)23)10-21(9-11)18(24)20-8-14-5-4-13(7-16(14)19)12-2-3-12/h4-5,7,11-12,15H,2-3,6,8-10H2,1H3,(H,20,24)(H,22,23)
InChIKeyCTAVNWUVRFGIMJ-UHFFFAOYSA-N
XLogP2.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-[(5-bromo-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122233
1-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122341
5-methyl-1-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122121950
1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121860
1-[(2,5-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122072
1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123692
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122322
1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123293
1-[[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123325
(3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 129470071
5-methyl-1-[[4-(methylsulfinylmethyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123831

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122123924) is 1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NCc2ccc(C3CC3)cc2F)C1.
What is the InChIKey of 1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is CTAVNWUVRFGIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-11-6-15(17(22)23)10-21(9-11)18(24)20-8-14-5-4-13(7-16(14)19)12-2-3-12/h4-5,7,11-12,15H,2-3,6,8-10H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 334.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122123924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).