N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide

C13H22N2O — CID 90791148

IUPACN-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide
SMILESCNC(=O)C1(N2CCCCC2)CC=CCC1
InChIInChI=1S/C13H22N2O/c1-14-12(16)13(8-4-2-5-9-13)15-10-6-3-7-11-15/h2,4H,3,5-11H2,1H3,(H,14,16)
InChIKeyMVPHCQUZARYTEZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.70
Rot. Bonds2

About N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide

N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide (PubChem CID 90791148) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide
PubChem CID90791148
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide
SMILESCNC(=O)C1(N2CCCCC2)CC=CCC1
InChIInChI=1S/C13H22N2O/c1-14-12(16)13(8-4-2-5-9-13)15-10-6-3-7-11-15/h2,4H,3,5-11H2,1H3,(H,14,16)
InChIKeyMVPHCQUZARYTEZ-UHFFFAOYSA-N
XLogP1.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.70
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

Pipamperone metabolite M-VI
CID 85598607
1-(2-Methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide
CID 90333869
1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide
CID 91560293
N-cyclohex-3-en-1-yl-1-propan-2-ylpiperidine-2-carboxamide
CID 72001115
1-(3-Cyclohexen-1-ylcarbonyl)-4-methylpiperazine
CID 3052997
(1s,2s)-2-Methylpiperidinyl-3-cyclohexen-1-carboxamide
CID 129852257
4-Acetyl-9-iodo-3-methyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione
CID 21631346
1-(Cyclohex-3-ene-1-carbonyl)piperazine
CID 21183946
2-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-N-methylacetamide
CID 23039225
6-Ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide
CID 67815525
9-[(Z)-dec-4-enyl]-3-(2-methylpropyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 69839304
3-But-3-enyl-3,4-dimethylpiperazin-2-one
CID 89026045

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide (CID 90791148) is N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide is CNC(=O)C1(N2CCCCC2)CC=CCC1.
What is the InChIKey of N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide?
The InChIKey is MVPHCQUZARYTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-14-12(16)13(8-4-2-5-9-13)15-10-6-3-7-11-15/h2,4H,3,5-11H2,1H3,(H,14,16).
What are the key properties of N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide?
N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 90791148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).