1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid

C16H18FNO3 — CID 46041408

IUPAC1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(c2ccc(F)cc2)N(C(=O)C2CC2)C1
InChIInChI=1S/C16H18FNO3/c17-13-6-3-10(4-7-13)14-8-5-12(16(20)21)9-18(14)15(19)11-1-2-11/h3-4,6-7,11-12,14H,1-2,5,8-9H2,(H,20,21)
InChIKeyCOXNNRXJLKAEAZ-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.60
Rot. Bonds3

About 1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid

1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid (PubChem CID 46041408) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid
PubChem CID46041408
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(c2ccc(F)cc2)N(C(=O)C2CC2)C1
InChIInChI=1S/C16H18FNO3/c17-13-6-3-10(4-7-13)14-8-5-12(16(20)21)9-18(14)15(19)11-1-2-11/h3-4,6-7,11-12,14H,1-2,5,8-9H2,(H,20,21)
InChIKeyCOXNNRXJLKAEAZ-UHFFFAOYSA-N
XLogP2.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R,4S)-3,3-difluoro-1-[(1R)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid
CID 24964342
{(2R,4S)-1-[(1R)-4,4-dimethyl-1-(3,3,3-trifluoropropyl)pentyl]-3,3-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl}acetic acid
CID 24964696
2-[(2S,4R)-1-[(4R)-1,1,1-trifluoro-7-methyloctan-4-yl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid
CID 59201219
1-(4-Fluorobenzoyl)piperidine-3-carboxylic acid
CID 4713643
1-Benzyl-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 13772099
1-Cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 3730159
1-Butyl-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 4309781
1-Methyl-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 17599129
1-Cyclohexyl-6-oxo-2-phenyl-3-piperidinecarboxylic acid
CID 3500347
1-(Cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid
CID 46067458
3-{(3R*,4S*)-4-(dimethylamino)-1-[(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl}propanoic acid
CID 72858534
3-{(3R*,4S*)-4-(dimethylamino)-1-[N-(2-fluorobenzyl)-N-methylglycyl]piperidin-3-yl}propanoic acid
CID 72861416

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid (CID 46041408) is 1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid is O=C(O)C1CCC(c2ccc(F)cc2)N(C(=O)C2CC2)C1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid?
The InChIKey is COXNNRXJLKAEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c17-13-6-3-10(4-7-13)14-8-5-12(16(20)21)9-18(14)15(19)11-1-2-11/h3-4,6-7,11-12,14H,1-2,5,8-9H2,(H,20,21).
What are the key properties of 1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid?
1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid has a molecular weight of 291.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 46041408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).