methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate

C16H28N2O3 — CID 79835226

IUPACmethyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-17(13-8-4-3-5-9-13)15(19)12-18-11-7-6-10-14(18)16(20)21-2/h13-14H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyRTFOLZARRABUGK-CQSZACIVSA-N
MW296.41 g/mol
LogP1.80
Rot. Bonds4

About methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate

methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate (PubChem CID 79835226) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
PubChem CID79835226
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namemethyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-17(13-8-4-3-5-9-13)15(19)12-18-11-7-6-10-14(18)16(20)21-2/h13-14H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyRTFOLZARRABUGK-CQSZACIVSA-N
XLogP1.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]azepane-2-carboxylic acid
CID 64564533
methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79834067
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176
methyl (2R,4R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-4-methoxypyrrolidine-2-carboxylate
CID 97214242
N-cyclohexyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 60684649
methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 115371331
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909272
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate
CID 115280662
methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 115371337
methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate
CID 81002268
methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915535
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate (CID 79835226) is methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1CC(=O)N(C)C1CCCCC1.
What is the InChIKey of methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The InChIKey is RTFOLZARRABUGK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-17(13-8-4-3-5-9-13)15(19)12-18-11-7-6-10-14(18)16(20)21-2/h13-14H,3-12H2,1-2H3/t14-/m1/s1.
What are the key properties of methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate is sourced from PubChem (CID 79835226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).