methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate

C14H24N2O3 — CID 55147306

IUPACmethyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C14H24N2O3/c1-19-14(18)10-5-7-16(8-6-10)13(17)11-3-2-4-12(15)9-11/h10-12H,2-9,15H2,1H3
InChIKeyMIKWVCKFFNOZIB-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.92
Rot. Bonds2

About methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate

methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate (PubChem CID 55147306) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate
PubChem CID55147306
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C14H24N2O3/c1-19-14(18)10-5-7-16(8-6-10)13(17)11-3-2-4-12(15)9-11/h10-12H,2-9,15H2,1H3
InChIKeyMIKWVCKFFNOZIB-UHFFFAOYSA-N
XLogP0.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
(3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532843
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
cis-methyl (1S,3R)-3-aminocyclohexane-1-carboxylate;cis-methyl (1R,3S)-3-aminocyclohexane-1-carboxylate;dihydrochloride
CID 170996917
[(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
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
(3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone
CID 119898033
(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 63046105

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate (CID 55147306) is methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C2CCCC(N)C2)CC1.
What is the InChIKey of methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate?
The InChIKey is MIKWVCKFFNOZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-19-14(18)10-5-7-16(8-6-10)13(17)11-3-2-4-12(15)9-11/h10-12H,2-9,15H2,1H3.
What are the key properties of methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate?
methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 55147306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).