N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]prop-2-enamide

C12H20N2O2 — CID 123865978

IUPACN-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H20N2O2/c1-4-11(15)13(3)9-12(16)14-7-5-10(2)6-8-14/h4,10H,1,5-9H2,2-3H3
InChIKeyKKOXEMPMVRRISL-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.89
Rot. Bonds3

About N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]prop-2-enamide

N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]prop-2-enamide (PubChem CID 123865978) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]prop-2-enamide
PubChem CID123865978
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H20N2O2/c1-4-11(15)13(3)9-12(16)14-7-5-10(2)6-8-14/h4,10H,1,5-9H2,2-3H3
InChIKeyKKOXEMPMVRRISL-UHFFFAOYSA-N
XLogP0.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]prop-2-enamide (CID 123865978) is N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]prop-2-enamide is C=CC(=O)N(C)CC(=O)N1CCC(C)CC1.
What is the InChIKey of N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]prop-2-enamide?
The InChIKey is KKOXEMPMVRRISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-11(15)13(3)9-12(16)14-7-5-10(2)6-8-14/h4,10H,1,5-9H2,2-3H3.
What are the key properties of N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]prop-2-enamide?
N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]prop-2-enamide has a molecular weight of 224.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 123865978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).