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

C13H22N2O — CID 175912648

IUPAC2-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide
SMILESCC1C=CCCC1(C(N)=O)N1CCCCC1
InChIInChI=1S/C13H22N2O/c1-11-7-3-4-8-13(11,12(14)16)15-9-5-2-6-10-15/h3,7,11H,2,4-6,8-10H2,1H3,(H2,14,16)
InChIKeyQZNQHVPPKLHDHV-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.68
Rot. Bonds2

About 2-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide

2-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide (PubChem CID 175912648) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name2-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide
PubChem CID175912648
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide
SMILESCC1C=CCCC1(C(N)=O)N1CCCCC1
InChIInChI=1S/C13H22N2O/c1-11-7-3-4-8-13(11,12(14)16)15-9-5-2-6-10-15/h3,7,11H,2,4-6,8-10H2,1H3,(H2,14,16)
InChIKeyQZNQHVPPKLHDHV-UHFFFAOYSA-N
XLogP1.68
TPSA46.33 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 ≤ 51.68
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

3-(1,4-diazepan-1-yl)-2-methyloxolane-3-carboxamide
CID 82719414
1-piperidin-1-ylcyclobutane-1-carboxamide
CID 175176421
1-cyclohexyl-2-methylcyclohex-3-en-1-ol
CID 25228119
1,2-dimethylcyclopent-3-ene-1-carboxamide
CID 175106754
ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
CID 117066918
2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
CID 64756445
(6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide
CID 142667571
2,4,4-trimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
CID 81314459
2-(1-pyrrolidin-1-ylcyclohexyl)acetamide
CID 10656094
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
(13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane
CID 147128823
(4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057458

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 2-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide (CID 175912648) is 2-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 2-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 2-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide is CC1C=CCCC1(C(N)=O)N1CCCCC1.
What is the InChIKey of 2-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide?
The InChIKey is QZNQHVPPKLHDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-7-3-4-8-13(11,12(14)16)15-9-5-2-6-10-15/h3,7,11H,2,4-6,8-10H2,1H3,(H2,14,16).
What are the key properties of 2-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide?
2-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 175912648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).