methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate

C15H24N2O3 — CID 124593338

IUPACmethyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CC=CCC2)C1
InChIInChI=1S/C15H24N2O3/c1-20-14(18)13-8-5-9-17(11-13)15(19)16-10-12-6-3-2-4-7-12/h2-3,12-13H,4-11H2,1H3,(H,16,19)/t12-,13+/m0/s1
InChIKeyMMQPLULLCAURAK-QWHCGFSZSA-N
MW280.37 g/mol
LogP1.94
Rot. Bonds3

About methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate

methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate (PubChem CID 124593338) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate
PubChem CID124593338
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CC=CCC2)C1
InChIInChI=1S/C15H24N2O3/c1-20-14(18)13-8-5-9-17(11-13)15(19)16-10-12-6-3-2-4-7-12/h2-3,12-13H,4-11H2,1H3,(H,16,19)/t12-,13+/m0/s1
InChIKeyMMQPLULLCAURAK-QWHCGFSZSA-N
XLogP1.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate with MolForge

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-3,5-dimethylpiperidine-1-carboxamide
CID 60593450
N-(cyclohex-3-en-1-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 128950604
(2S)-2-hydroxy-3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840674
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
cyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612232
methyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate
CID 71866434
N-(cyclohex-3-en-1-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 49128178
ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate
CID 108912857
methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate
CID 78919267
methyl (3S)-1-(3-methylsulfanylpropylcarbamoyl)piperidine-3-carboxylate
CID 124595443
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate (CID 124593338) is methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate is COC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CC=CCC2)C1.
What is the InChIKey of methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate?
The InChIKey is MMQPLULLCAURAK-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-20-14(18)13-8-5-9-17(11-13)15(19)16-10-12-6-3-2-4-7-12/h2-3,12-13H,4-11H2,1H3,(H,16,19)/t12-,13+/m0/s1.
What are the key properties of methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate?
methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 124593338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).