1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid

C22H23FN2O3 — CID 138051548

IUPAC1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1CCN2C(=O)C1CCCCN1Cc1ccc(F)cc1
InChIInChI=1S/C22H23FN2O3/c23-16-9-7-15(8-10-16)14-24-12-2-1-5-20(24)21(26)25-13-11-17-18(22(27)28)4-3-6-19(17)25/h3-4,6-10,20H,1-2,5,11-14H2,(H,27,28)
InChIKeyFQRHJLMDMVMQNM-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.47
Rot. Bonds4

About 1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid

1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid (PubChem CID 138051548) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid
PubChem CID138051548
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1CCN2C(=O)C1CCCCN1Cc1ccc(F)cc1
InChIInChI=1S/C22H23FN2O3/c23-16-9-7-15(8-10-16)14-24-12-2-1-5-20(24)21(26)25-13-11-17-18(22(27)28)4-3-6-19(17)25/h3-4,6-10,20H,1-2,5,11-14H2,(H,27,28)
InChIKeyFQRHJLMDMVMQNM-UHFFFAOYSA-N
XLogP3.47
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295
(3R)-1-[(2R)-1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778435
1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382581
1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382534
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidine-2-carboxylic acid
CID 122040486
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanone;hydrochloride
CID 120741964
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
3-[[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 125118795
3-[[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-methylamino]propanoic acid
CID 119362431
[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612785
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid (CID 138051548) is 1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid is O=C(O)c1cccc2c1CCN2C(=O)C1CCCCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid?
The InChIKey is FQRHJLMDMVMQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c23-16-9-7-15(8-10-16)14-24-12-2-1-5-20(24)21(26)25-13-11-17-18(22(27)28)4-3-6-19(17)25/h3-4,6-10,20H,1-2,5,11-14H2,(H,27,28).
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid?
1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid has a molecular weight of 382.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid is sourced from PubChem (CID 138051548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).