2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide

C10H19N3O — CID 11127219

IUPAC2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCNN1CCCCC1
InChIInChI=1S/C10H19N3O/c1-9(2)10(14)11-8-12-13-6-4-3-5-7-13/h12H,1,3-8H2,2H3,(H,11,14)
InChIKeyYBOKTWCNKYRNCP-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.63
Rot. Bonds4

About 2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide

2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide (PubChem CID 11127219) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide
PubChem CID11127219
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCNN1CCCCC1
InChIInChI=1S/C10H19N3O/c1-9(2)10(14)11-8-12-13-6-4-3-5-7-13/h12H,1,3-8H2,2H3,(H,11,14)
InChIKeyYBOKTWCNKYRNCP-UHFFFAOYSA-N
XLogP0.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide 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 2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide (CID 11127219) is 2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide is C=C(C)C(=O)NCNN1CCCCC1.
What is the InChIKey of 2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide?
The InChIKey is YBOKTWCNKYRNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(2)10(14)11-8-12-13-6-4-3-5-7-13/h12H,1,3-8H2,2H3,(H,11,14).
What are the key properties of 2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide?
2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(piperidin-1-ylamino)methyl]prop-2-enamide is sourced from PubChem (CID 11127219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).