6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid

C17H22N2O4 — CID 69273581

IUPAC6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid
SMILESCOc1ccc2c(c1)N(C(=O)O)C(C(=O)N1CCCC(C)C1)C2
InChIInChI=1S/C17H22N2O4/c1-11-4-3-7-18(10-11)16(20)15-8-12-5-6-13(23-2)9-14(12)19(15)17(21)22/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3,(H,21,22)
InChIKeyPCONDGRREIAJBL-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.36
Rot. Bonds2

About 6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid

6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid (PubChem CID 69273581) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid
PubChem CID69273581
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid
SMILESCOc1ccc2c(c1)N(C(=O)O)C(C(=O)N1CCCC(C)C1)C2
InChIInChI=1S/C17H22N2O4/c1-11-4-3-7-18(10-11)16(20)15-8-12-5-6-13(23-2)9-14(12)19(15)17(21)22/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3,(H,21,22)
InChIKeyPCONDGRREIAJBL-UHFFFAOYSA-N
XLogP2.36
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid
CID 69275495
cyclopentyl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110662971
1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 110374168
4-methoxy-2-(4-methylazepan-1-yl)benzoic acid
CID 81309603
2-(2,5-dimethoxyphenyl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 78869004
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 98701473
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 95663808
(E)-3-(4-methoxyphenyl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 898049
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one
CID 110662965
[(4aS,5S)-9-methoxy-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-pyrrolidin-1-ylmethanone
CID 99730054
(3-methylpiperidin-1-yl)-(1-pyridazin-3-yl-2,3-dihydroindol-2-yl)methanone
CID 69275502
1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113185434

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid?
The IUPAC name of 6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid (CID 69273581) is 6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid.
What is the SMILES notation for 6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid?
The canonical SMILES for 6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid is COc1ccc2c(c1)N(C(=O)O)C(C(=O)N1CCCC(C)C1)C2.
What is the InChIKey of 6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid?
The InChIKey is PCONDGRREIAJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11-4-3-7-18(10-11)16(20)15-8-12-5-6-13(23-2)9-14(12)19(15)17(21)22/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3,(H,21,22).
What are the key properties of 6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid?
6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid has a molecular weight of 318.37 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid is sourced from PubChem (CID 69273581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).