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

C15H26N2O3 — CID 63132819

IUPAC1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)N2CCC(C)(C(=O)O)CC2)CCCNC1
InChIInChI=1S/C15H26N2O3/c1-3-15(5-4-8-16-11-15)12(18)17-9-6-14(2,7-10-17)13(19)20/h16H,3-11H2,1-2H3,(H,19,20)
InChIKeyPAURDPHTARUEQS-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds3

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

1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63132819) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63132819
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)N2CCC(C)(C(=O)O)CC2)CCCNC1
InChIInChI=1S/C15H26N2O3/c1-3-15(5-4-8-16-11-15)12(18)17-9-6-14(2,7-10-17)13(19)20/h16H,3-11H2,1-2H3,(H,19,20)
InChIKeyPAURDPHTARUEQS-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

azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345
(4,4-dimethylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 55165162
(4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 65281182
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63133034
(4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63132853
(3-ethylpiperidin-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 63135150
(4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63163762
1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide
CID 114081922
1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 63140257
(3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63130238
(3-hydroxy-3-methylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 103355905
(3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 63131367

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid (CID 63132819) is 1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid is CCC1(C(=O)N2CCC(C)(C(=O)O)CC2)CCCNC1.
What is the InChIKey of 1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is PAURDPHTARUEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-15(5-4-8-16-11-15)12(18)17-9-6-14(2,7-10-17)13(19)20/h16H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid?
1-(3-ethylpiperidine-3-carbonyl)-4-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)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63132819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).