1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid

C20H27N3O4 — CID 120691440

IUPAC1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N2CC(C(=O)O)c3ccccc32)C1
InChIInChI=1S/C20H27N3O4/c1-13(2)10-21-20(27)22-9-5-6-14(11-22)18(24)23-12-16(19(25)26)15-7-3-4-8-17(15)23/h3-4,7-8,13-14,16H,5-6,9-12H2,1-2H3,(H,21,27)(H,25,26)
InChIKeyZSFJVSXLSOJZSR-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.28
Rot. Bonds4

About 1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid

1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691440) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691440
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N2CC(C(=O)O)c3ccccc32)C1
InChIInChI=1S/C20H27N3O4/c1-13(2)10-21-20(27)22-9-5-6-14(11-22)18(24)23-12-16(19(25)26)15-7-3-4-8-17(15)23/h3-4,7-8,13-14,16H,5-6,9-12H2,1-2H3,(H,21,27)(H,25,26)
InChIKeyZSFJVSXLSOJZSR-UHFFFAOYSA-N
XLogP2.28
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 120746164
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65262767
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565141
1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid
CID 122002158
3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119561872
5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110568
1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565113
1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564569
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid (CID 120691440) is 1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid is CC(C)CNC(=O)N1CCCC(C(=O)N2CC(C(=O)O)c3ccccc32)C1.
What is the InChIKey of 1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is ZSFJVSXLSOJZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-13(2)10-21-20(27)22-9-5-6-14(11-22)18(24)23-12-16(19(25)26)15-7-3-4-8-17(15)23/h3-4,7-8,13-14,16H,5-6,9-12H2,1-2H3,(H,21,27)(H,25,26).
What are the key properties of 1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid?
1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 373.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).