1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide

C12H22N2O — CID 90084994

IUPAC1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide
SMILESC=C(C)CCNC(=O)C1CCN(C)CC1
InChIInChI=1S/C12H22N2O/c1-10(2)4-7-13-12(15)11-5-8-14(3)9-6-11/h11H,1,4-9H2,2-3H3,(H,13,15)
InChIKeyKGYWPNXPKZGXPV-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.41
Rot. Bonds4

About 1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide

1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide (PubChem CID 90084994) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide
PubChem CID90084994
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide
SMILESC=C(C)CCNC(=O)C1CCN(C)CC1
InChIInChI=1S/C12H22N2O/c1-10(2)4-7-13-12(15)11-5-8-14(3)9-6-11/h11H,1,4-9H2,2-3H3,(H,13,15)
InChIKeyKGYWPNXPKZGXPV-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide (CID 90084994) is 1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide is C=C(C)CCNC(=O)C1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide?
The InChIKey is KGYWPNXPKZGXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)4-7-13-12(15)11-5-8-14(3)9-6-11/h11H,1,4-9H2,2-3H3,(H,13,15).
What are the key properties of 1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide?
1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylbut-3-enyl)piperidine-4-carboxamide is sourced from PubChem (CID 90084994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).