3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid

C19H24N2O3 — CID 129414879

IUPAC3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid
SMILESCCn1c(C(=O)N2CCC[C@H](CCC(=O)O)C2)cc2ccccc21
InChIInChI=1S/C19H24N2O3/c1-2-21-16-8-4-3-7-15(16)12-17(21)19(24)20-11-5-6-14(13-20)9-10-18(22)23/h3-4,7-8,12,14H,2,5-6,9-11,13H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyJYCLHDFXGQADQT-CQSZACIVSA-N
MW328.41 g/mol
LogP3.38
Rot. Bonds5

About 3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid

3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 129414879) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID129414879
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid
SMILESCCn1c(C(=O)N2CCC[C@H](CCC(=O)O)C2)cc2ccccc21
InChIInChI=1S/C19H24N2O3/c1-2-21-16-8-4-3-7-15(16)12-17(21)19(24)20-11-5-6-14(13-20)9-10-18(22)23/h3-4,7-8,12,14H,2,5-6,9-11,13H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyJYCLHDFXGQADQT-CQSZACIVSA-N
XLogP3.38
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide
CID 95786373
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]propanoic acid
CID 124681890
3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid
CID 124697845
(1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 71893736
3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid
CID 120689631
3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 124697707
3-[1-(4-hydroxy-2-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 107670760
3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124702008
3-[(3S)-1-(1-benzothiophene-3-carbonyl)piperidin-3-yl]propanoic acid
CID 124700764
3-[(3R)-1-(2-fluoro-4-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 97161540
3-[(3R)-1-(4-fluoro-3-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 95031817
3-[1-(2,3-difluoro-4-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 146109373

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid (CID 129414879) is 3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid is CCn1c(C(=O)N2CCC[C@H](CCC(=O)O)C2)cc2ccccc21.
What is the InChIKey of 3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is JYCLHDFXGQADQT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-21-16-8-4-3-7-15(16)12-17(21)19(24)20-11-5-6-14(13-20)9-10-18(22)23/h3-4,7-8,12,14H,2,5-6,9-11,13H2,1H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid?
3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 129414879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).