[(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate

C17H27NO4 — CID 96999545

IUPAC[(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
SMILESCO[C@H]1CCCC[C@@H]1OC(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H27NO4/c1-21-14-4-2-3-5-15(14)22-17(20)13-8-10-18(11-9-13)16(19)12-6-7-12/h12-15H,2-11H2,1H3/t14-,15-/m0/s1
InChIKeyUGRCCTOJLJLCRP-GJZGRUSLSA-N
MW309.41 g/mol
LogP2.14
Rot. Bonds4

About [(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate

[(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate (PubChem CID 96999545) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is [(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
PubChem CID96999545
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name[(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
SMILESCO[C@H]1CCCC[C@@H]1OC(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H27NO4/c1-21-14-4-2-3-5-15(14)22-17(20)13-8-10-18(11-9-13)16(19)12-6-7-12/h12-15H,2-11H2,1H3/t14-,15-/m0/s1
InChIKeyUGRCCTOJLJLCRP-GJZGRUSLSA-N
XLogP2.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate with MolForge

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Related Compounds

4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate
CID 96523685
cyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone
CID 43791479
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
azepan-1-yl-(4-methoxycyclohexyl)methanone
CID 112530492
2-methylsulfanylethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 78832493
(4-hydroxypiperidin-1-yl)-(4-methoxycyclohexyl)methanone
CID 112531209
2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
CID 91728652
methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate
CID 55147306
methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 60700298
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
The IUPAC name of [(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate (CID 96999545) is [(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate.
What is the SMILES notation for [(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
The canonical SMILES for [(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate is CO[C@H]1CCCC[C@@H]1OC(=O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
The InChIKey is UGRCCTOJLJLCRP-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H27NO4/c1-21-14-4-2-3-5-15(14)22-17(20)13-8-10-18(11-9-13)16(19)12-6-7-12/h12-15H,2-11H2,1H3/t14-,15-/m0/s1.
What are the key properties of [(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
[(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 96999545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).