[(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone

C19H30N2O3 — CID 129430953

IUPAC[(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone
SMILESC[C@@H]1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)C[C@H]1C
InChIInChI=1S/C19H30N2O3/c1-14-7-8-21(13-15(14)2)19(23)17-6-4-3-5-16(17)18(22)20-9-11-24-12-10-20/h3-4,14-17H,5-13H2,1-2H3/t14-,15-,16-,17-/m1/s1
InChIKeyDISJHJRHRKLIAQ-QBPKDAKJSA-N
MW334.46 g/mol
LogP1.93
Rot. Bonds2

About [(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone

[(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone (PubChem CID 129430953) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is [(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone
PubChem CID129430953
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name[(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone
SMILESC[C@@H]1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)C[C@H]1C
InChIInChI=1S/C19H30N2O3/c1-14-7-8-21(13-15(14)2)19(23)17-6-4-3-5-16(17)18(22)20-9-11-24-12-10-20/h3-4,14-17H,5-13H2,1-2H3/t14-,15-,16-,17-/m1/s1
InChIKeyDISJHJRHRKLIAQ-QBPKDAKJSA-N
XLogP1.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133522
(4-methylpiperidin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109132556
cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
(2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone
CID 62777723
1-[(3S,4S)-3-methyl-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 126827528
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
(1S,6R)-6-(4-methylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate
CID 7333962
6-(3-aminopyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 62068915
6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 43562560
(4-methylpyrrolidin-3-yl)-morpholin-4-ylmethanone
CID 63720609
3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551239
[(2S)-1,3-dimethylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 142300145

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone (CID 129430953) is [(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone is C[C@@H]1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)C[C@H]1C.
What is the InChIKey of [(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone?
The InChIKey is DISJHJRHRKLIAQ-QBPKDAKJSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14-7-8-21(13-15(14)2)19(23)17-6-4-3-5-16(17)18(22)20-9-11-24-12-10-20/h3-4,14-17H,5-13H2,1-2H3/t14-,15-,16-,17-/m1/s1.
What are the key properties of [(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone?
[(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone has a molecular weight of 334.46 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 129430953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).