1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid

C16H19N3O3 — CID 122102272

IUPAC1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2cccc3[nH]ccc23)C1
InChIInChI=1S/C16H19N3O3/c1-10-7-11(15(20)21)9-19(8-10)16(22)18-14-4-2-3-13-12(14)5-6-17-13/h2-6,10-11,17H,7-9H2,1H3,(H,18,22)(H,20,21)
InChIKeyKRTCNNAUKCKNNX-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.74
Rot. Bonds2

About 1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid

1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122102272) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122102272
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2cccc3[nH]ccc23)C1
InChIInChI=1S/C16H19N3O3/c1-10-7-11(15(20)21)9-19(8-10)16(22)18-14-4-2-3-13-12(14)5-6-17-13/h2-6,10-11,17H,7-9H2,1H3,(H,18,22)(H,20,21)
InChIKeyKRTCNNAUKCKNNX-UHFFFAOYSA-N
XLogP2.74
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide
CID 121452523
1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122102767
1-[[2-(1,1-difluoroethyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103223
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
1-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101912
1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101857
5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101998
5-methyl-1-[[3-(phenylcarbamoylamino)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101982
N-(1H-indol-4-yl)-2-oxo-2-piperidin-1-ylacetamide
CID 45493554
1-[[2-(2,2-difluoroethoxy)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102580
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
5-methyl-1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122103131

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid (CID 122102272) is 1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Nc2cccc3[nH]ccc23)C1.
What is the InChIKey of 1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is KRTCNNAUKCKNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-7-11(15(20)21)9-19(8-10)16(22)18-14-4-2-3-13-12(14)5-6-17-13/h2-6,10-11,17H,7-9H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122102272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).