1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid

C16H18N2O3 — CID 104594600

IUPAC1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C16H18N2O3/c1-16(15(20)21)8-2-3-10-18(16)14(19)12-6-4-5-11-7-9-17-13(11)12/h4-7,9,17H,2-3,8,10H2,1H3,(H,20,21)
InChIKeyZXYXSASKEPUNKQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.64
Rot. Bonds2

About 1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid

1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104594600) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104594600
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C16H18N2O3/c1-16(15(20)21)8-2-3-10-18(16)14(19)12-6-4-5-11-7-9-17-13(11)12/h4-7,9,17H,2-3,8,10H2,1H3,(H,20,21)
InChIKeyZXYXSASKEPUNKQ-UHFFFAOYSA-N
XLogP2.64
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323154
1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595380
(1S,5R)-3-(1H-indole-7-carbonyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135088902
1H-indole-7-carboxylic acid;hydrochloride
CID 67635723
1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104594637
1-(1H-indole-7-carbonyl)piperidin-4-one
CID 112531297
1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid
CID 104595293
(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
CID 106671264
2-methyl-1-(2,3,4-trifluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 79749422
1-(4-bromo-1H-pyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595477
1-(1H-indole-7-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 84584768
1H-indol-7-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66207438

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid (CID 104594600) is 1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)c1cccc2cc[nH]c12.
What is the InChIKey of 1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is ZXYXSASKEPUNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(15(20)21)8-2-3-10-18(16)14(19)12-6-4-5-11-7-9-17-13(11)12/h4-7,9,17H,2-3,8,10H2,1H3,(H,20,21).
What are the key properties of 1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid?
1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104594600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).