1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid

C13H22N2O3 — CID 63046092

IUPAC1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
SMILESNC1CCCC(C(=O)N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C13H22N2O3/c14-11-3-1-2-10(8-11)12(16)15-6-4-9(5-7-15)13(17)18/h9-11H,1-8,14H2,(H,17,18)
InChIKeyGTJZKIJVJBXMJX-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.83
Rot. Bonds2

About 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid

1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid (PubChem CID 63046092) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
PubChem CID63046092
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
SMILESNC1CCCC(C(=O)N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C13H22N2O3/c14-11-3-1-2-10(8-11)12(16)15-6-4-9(5-7-15)13(17)18/h9-11H,1-8,14H2,(H,17,18)
InChIKeyGTJZKIJVJBXMJX-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate
CID 55147306
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
(3S)-3-aminocyclohexane-1-carboxylic acid
CID 67383005
(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 63046105
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366
cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid (CID 63046092) is 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid is NC1CCCC(C(=O)N2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid?
The InChIKey is GTJZKIJVJBXMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c14-11-3-1-2-10(8-11)12(16)15-6-4-9(5-7-15)13(17)18/h9-11H,1-8,14H2,(H,17,18).
What are the key properties of 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid?
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63046092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).