(1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide

C14H22N2O2 — CID 93083461

IUPAC(1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-15-13(17)11-7-3-4-8-12(11)14(18)16-9-5-2-6-10-16/h3-4,11-12H,2,5-10H2,1H3,(H,15,17)/t11-,12+/m1/s1
InChIKeyJWDHFOGFEXQPEW-NEPJUHHUSA-N
MW250.34 g/mol
LogP1.33
Rot. Bonds2

About (1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide

(1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide (PubChem CID 93083461) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
PubChem CID93083461
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-15-13(17)11-7-3-4-8-12(11)14(18)16-9-5-2-6-10-16/h3-4,11-12H,2,5-10H2,1H3,(H,15,17)/t11-,12+/m1/s1
InChIKeyJWDHFOGFEXQPEW-NEPJUHHUSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S)-2-methyl-2,3,4,7-tetrahydro-1H-azepin-3-yl]-piperidin-1-ylmethanone
CID 92583172
(1R,6S)-N-(4-methoxyphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 728952
N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133640
N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133659
(1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 1125529
N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133522
N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133594
[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
CID 109140675
[6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone
CID 19133658
(1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 99778519
[2-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131791
(1S,6R)-6-(4-methylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate
CID 7333962

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide (CID 93083461) is (1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide is CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCCCC1.
What is the InChIKey of (1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is JWDHFOGFEXQPEW-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15-13(17)11-7-3-4-8-12(11)14(18)16-9-5-2-6-10-16/h3-4,11-12H,2,5-10H2,1H3,(H,15,17)/t11-,12+/m1/s1.
What are the key properties of (1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
(1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 93083461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).