1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid

C16H28N2O3 — CID 104598446

IUPAC1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCC1CCCCN1C(=O)CN1CCCCC1(C)C(=O)O
InChIInChI=1S/C16H28N2O3/c1-3-13-8-4-6-11-18(13)14(19)12-17-10-7-5-9-16(17,2)15(20)21/h13H,3-12H2,1-2H3,(H,20,21)
InChIKeyCAVQZFBRLDOQKO-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.11
Rot. Bonds4

About 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid

1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598446) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104598446
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCC1CCCCN1C(=O)CN1CCCCC1(C)C(=O)O
InChIInChI=1S/C16H28N2O3/c1-3-13-8-4-6-11-18(13)14(19)12-17-10-7-5-9-16(17,2)15(20)21/h13H,3-12H2,1-2H3,(H,20,21)
InChIKeyCAVQZFBRLDOQKO-UHFFFAOYSA-N
XLogP2.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid
CID 104598472
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655382
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone
CID 104689647
1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42891834
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 120773946
1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 94249392
1-(2-ethylpiperidin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 55028926
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109003227
2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 108996084

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid (CID 104598446) is 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid is CCC1CCCCN1C(=O)CN1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is CAVQZFBRLDOQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-13-8-4-6-11-18(13)14(19)12-17-10-7-5-9-16(17,2)15(20)21/h13H,3-12H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).