N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide

C12H20N2O2 — CID 123663534

IUPACN-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide
SMILESC=CC(=O)NCCC(=O)N1CCCC(C)C1
InChIInChI=1S/C12H20N2O2/c1-3-11(15)13-7-6-12(16)14-8-4-5-10(2)9-14/h3,10H,1,4-9H2,2H3,(H,13,15)
InChIKeyFZKLMPGUMPIQGN-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.94
Rot. Bonds4

About N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide

N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide (PubChem CID 123663534) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide
PubChem CID123663534
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide
SMILESC=CC(=O)NCCC(=O)N1CCCC(C)C1
InChIInChI=1S/C12H20N2O2/c1-3-11(15)13-7-6-12(16)14-8-4-5-10(2)9-14/h3,10H,1,4-9H2,2H3,(H,13,15)
InChIKeyFZKLMPGUMPIQGN-UHFFFAOYSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
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-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide (CID 123663534) is N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide is C=CC(=O)NCCC(=O)N1CCCC(C)C1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide?
The InChIKey is FZKLMPGUMPIQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-11(15)13-7-6-12(16)14-8-4-5-10(2)9-14/h3,10H,1,4-9H2,2H3,(H,13,15).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide?
N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide has a molecular weight of 224.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide is sourced from PubChem (CID 123663534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).