1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid

C15H26N2O3 — CID 106742943

IUPAC1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)N2CCC(C(=O)O)CC2C)CCCNC1
InChIInChI=1S/C15H26N2O3/c1-3-15(6-4-7-16-10-15)14(20)17-8-5-12(13(18)19)9-11(17)2/h11-12,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyQNRVFLUUJCJDMD-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds3

About 1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid

1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106742943) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106742943
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)N2CCC(C(=O)O)CC2C)CCCNC1
InChIInChI=1S/C15H26N2O3/c1-3-15(6-4-7-16-10-15)14(20)17-8-5-12(13(18)19)9-11(17)2/h11-12,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyQNRVFLUUJCJDMD-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780244
1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106743006
(3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780497
(3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102883218
1-(3-ethylpiperidine-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 63131944
(3-ethylpiperidin-3-yl)-(2-propylpiperidin-1-yl)methanone
CID 83052876
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345
(2,5-dimethylmorpholin-4-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63130536
(3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone
CID 63138588
(3-ethylpiperidin-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 63135150
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63133034

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid (CID 106742943) is 1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid is CCC1(C(=O)N2CCC(C(=O)O)CC2C)CCCNC1.
What is the InChIKey of 1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is QNRVFLUUJCJDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-15(6-4-7-16-10-15)14(20)17-8-5-12(13(18)19)9-11(17)2/h11-12,16H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid?
1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).