6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid

C29H31FN2O2 — CID 149363024

IUPAC6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(CC[C@@H]3CC3c3ccccc3)(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C29H31FN2O2/c30-24-11-9-21(10-12-24)20-29(14-13-23-19-25(23)22-5-2-1-3-6-22)15-17-32(18-16-29)27-8-4-7-26(31-27)28(33)34/h1-12,23,25H,13-20H2,(H,33,34)/t23-,25?/m1/s1
InChIKeyYIGZVOUMJLBQAC-XQZUBTRRSA-N
MW458.58 g/mol
LogP6.33
Rot. Bonds8

About 6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 149363024) has the molecular formula C29H31FN2O2 and a molecular weight of 458.58 g/mol. Its IUPAC name is 6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID149363024
Molecular FormulaC29H31FN2O2
Molecular Weight458.58 g/mol
Exact Mass458.24
IUPAC Name6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(CC[C@@H]3CC3c3ccccc3)(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C29H31FN2O2/c30-24-11-9-21(10-12-24)20-29(14-13-23-19-25(23)22-5-2-1-3-6-22)15-17-32(18-16-29)27-8-4-7-26(31-27)28(33)34/h1-12,23,25H,13-20H2,(H,33,34)/t23-,25?/m1/s1
InChIKeyYIGZVOUMJLBQAC-XQZUBTRRSA-N
XLogP6.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-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

6-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-methylpyridine-2-carboxylic acid
CID 117614487
6-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methylpyridine-2-carboxylic acid
CID 122181977
6-Methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carboxylic acid
CID 122182536
US10513493, Example 20
CID 118301993
US10513493, Example 24
CID 118301996
US10513493, Example 26
CID 118302022
6-((Cyclopropylmethyl)(propyl)amino)picolinic acid
CID 2415269
2-(4-Benzhydrylpiperazin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 60176612
6-[(3R*,4S*)-4-hydroxy-3,4-dimethyl-1-piperidinyl]-2-pyridinecarboxylic acid
CID 72914798
3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 97271005
6-[[1-(Dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 122057437
6-[[2-(Dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 122057521

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid (CID 149363024) is 6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCC(CC[C@@H]3CC3c3ccccc3)(Cc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is YIGZVOUMJLBQAC-XQZUBTRRSA-N. The full InChI is InChI=1S/C29H31FN2O2/c30-24-11-9-21(10-12-24)20-29(14-13-23-19-25(23)22-5-2-1-3-6-22)15-17-32(18-16-29)27-8-4-7-26(31-27)28(33)34/h1-12,23,25H,13-20H2,(H,33,34)/t23-,25?/m1/s1.
What are the key properties of 6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 458.58 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 149363024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).