(3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid

C23H24N2O3 — CID 29133842

IUPAC(3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)CCn2c(-c3ccccc3)cc3ccccc32)C1
InChIInChI=1S/C23H24N2O3/c26-22(24-13-6-10-19(16-24)23(27)28)12-14-25-20-11-5-4-9-18(20)15-21(25)17-7-2-1-3-8-17/h1-5,7-9,11,15,19H,6,10,12-14,16H2,(H,27,28)/t19-/m1/s1
InChIKeyUBYMRVLPRGOMHQ-LJQANCHMSA-N
MW376.46 g/mol
LogP4.02
Rot. Bonds5

About (3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid

(3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 29133842) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid
PubChem CID29133842
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)CCn2c(-c3ccccc3)cc3ccccc32)C1
InChIInChI=1S/C23H24N2O3/c26-22(24-13-6-10-19(16-24)23(27)28)12-14-25-20-11-5-4-9-18(20)15-21(25)17-7-2-1-3-8-17/h1-5,7-9,11,15,19H,6,10,12-14,16H2,(H,27,28)/t19-/m1/s1
InChIKeyUBYMRVLPRGOMHQ-LJQANCHMSA-N
XLogP4.02
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 51974268
2-(2-phenylindol-1-yl)-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanone
CID 16583429
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 102553180
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214
(3S)-1-[4-(1,3-dihydroisoindol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 126450015
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one
CID 46986943
1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 119167482
(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 129382470
1-[(3S)-3-methylpiperidin-1-yl]-3-(2-pyridin-4-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-one
CID 92584001
(3S)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 29136377

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid (CID 29133842) is (3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)CCn2c(-c3ccccc3)cc3ccccc32)C1.
What is the InChIKey of (3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is UBYMRVLPRGOMHQ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-22(24-13-6-10-19(16-24)23(27)28)12-14-25-20-11-5-4-9-18(20)15-21(25)17-7-2-1-3-8-17/h1-5,7-9,11,15,19H,6,10,12-14,16H2,(H,27,28)/t19-/m1/s1.
What are the key properties of (3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid?
(3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 376.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 29133842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).