(1S)-N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide

C13H22N2O — CID 129186411

IUPAC(1S)-N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide
SMILESCNC(=O)[C@@]1(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)/t13-/m1/s1
InChIKeyMVPHCQUZARYTEZ-CYBMUJFWSA-N
MW222.33 g/mol
LogP1.70
Rot. Bonds2

About (1S)-N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide

(1S)-N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide (PubChem CID 129186411) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (1S)-N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide
PubChem CID129186411
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(1S)-N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide
SMILESCNC(=O)[C@@]1(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)/t13-/m1/s1
InChIKeyMVPHCQUZARYTEZ-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide (CID 129186411) is (1S)-N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide is CNC(=O)[C@@]1(N2CCCCC2)CC=CCC1.
What is the InChIKey of (1S)-N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide?
The InChIKey is MVPHCQUZARYTEZ-CYBMUJFWSA-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)/t13-/m1/s1.
What are the key properties of (1S)-N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide?
(1S)-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 (1S)-N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 129186411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).