3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid

C17H19FN2O3 — CID 124701352

IUPAC3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCCN1C(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C17H19FN2O3/c18-13-5-3-6-14-12(13)10-15(19-14)17(23)20-9-2-1-4-11(20)7-8-16(21)22/h3,5-6,10-11,19H,1-2,4,7-9H2,(H,21,22)/t11-/m1/s1
InChIKeyCVMMHFRRYYSORW-LLVKDONJSA-N
MW318.35 g/mol
LogP3.17
Rot. Bonds4

About 3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid

3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 124701352) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID124701352
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCCN1C(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C17H19FN2O3/c18-13-5-3-6-14-12(13)10-15(19-14)17(23)20-9-2-1-4-11(20)7-8-16(21)22/h3,5-6,10-11,19H,1-2,4,7-9H2,(H,21,22)/t11-/m1/s1
InChIKeyCVMMHFRRYYSORW-LLVKDONJSA-N
XLogP3.17
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(4-fluoro-1H-indol-2-yl)methanone
CID 95580375
3-[1-(5-chloro-2-fluorobenzoyl)piperidin-2-yl]propanoic acid
CID 62217106
2-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 95197135
2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 95197136
3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 129369081
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(4-fluoro-1H-indol-2-yl)methanone
CID 95590024
3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid
CID 124689702
3-[(2R)-1-[(2R)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid
CID 124690812
3-[1-(2-chloro-5-fluoro-4-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 117044948
3-[1-(4-bromo-2-chlorobenzoyl)piperidin-2-yl]propanoic acid
CID 62217115
3-[(2S)-1-(3-fluoro-4-methoxybenzoyl)piperidin-2-yl]propanoic acid
CID 124688675
3-[(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-2-yl]propanoic acid
CID 124688643

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid (CID 124701352) is 3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid is O=C(O)CC[C@H]1CCCCN1C(=O)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of 3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is CVMMHFRRYYSORW-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19FN2O3/c18-13-5-3-6-14-12(13)10-15(19-14)17(23)20-9-2-1-4-11(20)7-8-16(21)22/h3,5-6,10-11,19H,1-2,4,7-9H2,(H,21,22)/t11-/m1/s1.
What are the key properties of 3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid?
3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 318.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124701352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).