1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid

C24H33FN2O4 — CID 118106517

IUPAC1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid
SMILESCOC1CCN(C(C(=O)Nc2cc(CC3(C(=O)O)CC3)ccc2F)C2CCCC2)CC1
InChIInChI=1S/C24H33FN2O4/c1-31-18-8-12-27(13-9-18)21(17-4-2-3-5-17)22(28)26-20-14-16(6-7-19(20)25)15-24(10-11-24)23(29)30/h6-7,14,17-18,21H,2-5,8-13,15H2,1H3,(H,26,28)(H,29,30)
InChIKeyNNKZMMZCHNYCRG-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.84
Rot. Bonds8

About 1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid

1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid (PubChem CID 118106517) has the molecular formula C24H33FN2O4 and a molecular weight of 432.54 g/mol. Its IUPAC name is 1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid
PubChem CID118106517
Molecular FormulaC24H33FN2O4
Molecular Weight432.54 g/mol
Exact Mass432.24
IUPAC Name1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid
SMILESCOC1CCN(C(C(=O)Nc2cc(CC3(C(=O)O)CC3)ccc2F)C2CCCC2)CC1
InChIInChI=1S/C24H33FN2O4/c1-31-18-8-12-27(13-9-18)21(17-4-2-3-5-17)22(28)26-20-14-16(6-7-19(20)25)15-24(10-11-24)23(29)30/h6-7,14,17-18,21H,2-5,8-13,15H2,1H3,(H,26,28)(H,29,30)
InChIKeyNNKZMMZCHNYCRG-UHFFFAOYSA-N
XLogP3.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-[[4-fluoro-3-[[4,4,4-trifluoro-3-methyl-2-(4-methylpiperidin-1-yl)butanoyl]amino]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 90022843
1-[[3-[[2-cyclopentyl-2-[4-[(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)methyl]phenyl]acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid
CID 70143208
(2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide
CID 67957933
2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 56810586
1-[[4-chloro-3-[[2-(4-chlorophenyl)-2-(3,3-dichlorocyclopentyl)acetyl]amino]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 150399646
1-[[3-[[(2S,3R)-2-(4-chlorocyclohexa-1,5-dien-1-yl)-4,4,4-trifluoro-3-methylbutanoyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid
CID 163501229
2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 46027660
1-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65422980
2-iodopropan-2-yl 1-[[3-[[2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylate
CID 118102571
1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82291603
1-[(3-bromo-4-fluorophenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 65391381
N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide
CID 103530921

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid (CID 118106517) is 1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid is COC1CCN(C(C(=O)Nc2cc(CC3(C(=O)O)CC3)ccc2F)C2CCCC2)CC1.
What is the InChIKey of 1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is NNKZMMZCHNYCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O4/c1-31-18-8-12-27(13-9-18)21(17-4-2-3-5-17)22(28)26-20-14-16(6-7-19(20)25)15-24(10-11-24)23(29)30/h6-7,14,17-18,21H,2-5,8-13,15H2,1H3,(H,26,28)(H,29,30).
What are the key properties of 1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid?
1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 432.54 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[2-cyclopentyl-2-(4-methoxypiperidin-1-yl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 118106517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).