1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid

C15H25NO4 — CID 167464338

IUPAC1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
SMILESCCOC(=O)C1CCC(N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H25NO4/c1-2-20-15(19)12-3-5-13(6-4-12)16-9-7-11(8-10-16)14(17)18/h11-13H,2-10H2,1H3,(H,17,18)
InChIKeyYUQFSPQKOWGDCF-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.90
Rot. Bonds4

About 1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid

1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid (PubChem CID 167464338) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
PubChem CID167464338
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
SMILESCCOC(=O)C1CCC(N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H25NO4/c1-2-20-15(19)12-3-5-13(6-4-12)16-9-7-11(8-10-16)14(17)18/h11-13H,2-10H2,1H3,(H,17,18)
InChIKeyYUQFSPQKOWGDCF-UHFFFAOYSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate
CID 169225994
ethyl 4-hydroxycyclohexane-1-carboxylate;4-hydroxycyclohexane-1-carboxylic acid
CID 161494785
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate
CID 12519345
3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549697
ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate
CID 95355404
ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate
CID 62981321
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid (CID 167464338) is 1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid is CCOC(=O)C1CCC(N2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid?
The InChIKey is YUQFSPQKOWGDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-2-20-15(19)12-3-5-13(6-4-12)16-9-7-11(8-10-16)14(17)18/h11-13H,2-10H2,1H3,(H,17,18).
What are the key properties of 1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid?
1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 167464338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).