1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid

C14H26N2O4 — CID 114430528

IUPAC1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCOC(C)CNC(=O)N1CCC(CC)CC1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-11-6-7-16(12(8-11)13(17)18)14(19)15-9-10(3)20-5-2/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyVXLKESAIHFCHBU-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds6

About 1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid

1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114430528) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID114430528
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCOC(C)CNC(=O)N1CCC(CC)CC1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-11-6-7-16(12(8-11)13(17)18)14(19)15-9-10(3)20-5-2/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyVXLKESAIHFCHBU-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-methyl 4-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate
CID 944347
(2S)-methyl 4-methyl-2-(2-methylpiperidine-1-carboxamido)pentanoate
CID 16682389
(2S,3R)-methyl 3-methyl-2-(3-(3-morpholinopropyl)ureido)pentanoate
CID 663402
2-((Tert-butoxycarbonyl)amino)-3-(1-methylpiperidin-4-yl)propanoic acid
CID 21935337
N-(Morpholinocarbonyl)leucine methyl ester
CID 749333
methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
CID 24955383
N-[(4-methylpiperidin-1-yl)carbonyl]-D-leucine
CID 7692578
(2S)-4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 57535356
4,4-Difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 68821126
3-Fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 150077050
2-Fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 151816747
Methyl 4-methyl-2-(morpholin-4-ylcarbonylamino)pentanoate
CID 4318319

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid (CID 114430528) is 1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid is CCOC(C)CNC(=O)N1CCC(CC)CC1C(=O)O.
What is the InChIKey of 1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is VXLKESAIHFCHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-11-6-7-16(12(8-11)13(17)18)14(19)15-9-10(3)20-5-2/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid?
1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114430528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).