1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid

C14H20N2O3 — CID 79325054

IUPAC1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCC1CCCN(C(=O)Cn2cccc2C(=O)O)C1C
InChIInChI=1S/C14H20N2O3/c1-10-5-3-8-16(11(10)2)13(17)9-15-7-4-6-12(15)14(18)19/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,18,19)
InChIKeyRUIGUCWXBDKWBU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.83
Rot. Bonds3

About 1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 79325054) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID79325054
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCC1CCCN(C(=O)Cn2cccc2C(=O)O)C1C
InChIInChI=1S/C14H20N2O3/c1-10-5-3-8-16(11(10)2)13(17)9-15-7-4-6-12(15)14(18)19/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,18,19)
InChIKeyRUIGUCWXBDKWBU-UHFFFAOYSA-N
XLogP1.83
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-ethylazepan-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 104691186
1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325282
1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324531
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324412
1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325275
1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 64591825
2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 81322765
1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325276
1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 112627151
5-(2,3-dimethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 62122760
3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 71870607
1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324558

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid (CID 79325054) is 1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid is CC1CCCN(C(=O)Cn2cccc2C(=O)O)C1C.
What is the InChIKey of 1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is RUIGUCWXBDKWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-3-8-16(11(10)2)13(17)9-15-7-4-6-12(15)14(18)19/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79325054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).