(1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide

C13H22N2O — CID 118557953

IUPAC(1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide
SMILESCC1CCCCN1[C@]1(C(N)=O)CC=CCC1
InChIInChI=1S/C13H22N2O/c1-11-7-3-6-10-15(11)13(12(14)16)8-4-2-5-9-13/h2,4,11H,3,5-10H2,1H3,(H2,14,16)/t11?,13-/m1/s1
InChIKeySFDNQBLLTFCMQQ-GLGOKHISSA-N
MW222.33 g/mol
LogP1.83
Rot. Bonds2

About (1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide

(1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 118557953) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide
PubChem CID118557953
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide
SMILESCC1CCCCN1[C@]1(C(N)=O)CC=CCC1
InChIInChI=1S/C13H22N2O/c1-11-7-3-6-10-15(11)13(12(14)16)8-4-2-5-9-13/h2,4,11H,3,5-10H2,1H3,(H2,14,16)/t11?,13-/m1/s1
InChIKeySFDNQBLLTFCMQQ-GLGOKHISSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide (CID 118557953) is (1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide is CC1CCCCN1[C@]1(C(N)=O)CC=CCC1.
What is the InChIKey of (1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is SFDNQBLLTFCMQQ-GLGOKHISSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-7-3-6-10-15(11)13(12(14)16)8-4-2-5-9-13/h2,4,11H,3,5-10H2,1H3,(H2,14,16)/t11?,13-/m1/s1.
What are the key properties of (1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide?
(1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 118557953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).