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

C17H20N2O3 — CID 92650290

IUPAC(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C17H20N2O3/c20-16(19-10-4-3-7-15(19)17(21)22)9-8-12-11-18-14-6-2-1-5-13(12)14/h1-2,5-6,11,15,18H,3-4,7-10H2,(H,21,22)/t15-/m1/s1
InChIKeyMQILSTBLYADSMY-OAHLLOKOSA-N
MW300.36 g/mol
LogP2.57
Rot. Bonds4

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

(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid (PubChem CID 92650290) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
PubChem CID92650290
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C17H20N2O3/c20-16(19-10-4-3-7-15(19)17(21)22)9-8-12-11-18-14-6-2-1-5-13(12)14/h1-2,5-6,11,15,18H,3-4,7-10H2,(H,21,22)/t15-/m1/s1
InChIKeyMQILSTBLYADSMY-OAHLLOKOSA-N
XLogP2.57
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 119176343
(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 95196011
1-[(3aS,9aR)-1-acetyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 110136219
1-[(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 175554389
N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073224
3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 94783773
(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 55151521
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(1H-indol-3-yl)propan-1-one
CID 94061393
1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176125
phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 175180660
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid (CID 92650290) is (2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of (2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is MQILSTBLYADSMY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-16(19-10-4-3-7-15(19)17(21)22)9-8-12-11-18-14-6-2-1-5-13(12)14/h1-2,5-6,11,15,18H,3-4,7-10H2,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid?
(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 92650290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).