(E)-3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide

C10H17FN2O — CID 146499013

IUPAC(E)-3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
SMILESCN1CCC(N(C)C(=O)/C=C/F)CC1
InChIInChI=1S/C10H17FN2O/c1-12-7-4-9(5-8-12)13(2)10(14)3-6-11/h3,6,9H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyUMHGHLIKKNHBPG-ZZXKWVIFSA-N
MW200.26 g/mol
LogP1.02
Rot. Bonds2

About (E)-3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide

(E)-3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide (PubChem CID 146499013) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is (E)-3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
PubChem CID146499013
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name(E)-3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
SMILESCN1CCC(N(C)C(=O)/C=C/F)CC1
InChIInChI=1S/C10H17FN2O/c1-12-7-4-9(5-8-12)13(2)10(14)3-6-11/h3,6,9H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyUMHGHLIKKNHBPG-ZZXKWVIFSA-N
XLogP1.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.02
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 (E)-3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The IUPAC name of (E)-3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide (CID 146499013) is (E)-3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The canonical SMILES for (E)-3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide is CN1CCC(N(C)C(=O)/C=C/F)CC1.
What is the InChIKey of (E)-3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The InChIKey is UMHGHLIKKNHBPG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-12-7-4-9(5-8-12)13(2)10(14)3-6-11/h3,6,9H,4-5,7-8H2,1-2H3/b6-3+.
What are the key properties of (E)-3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide?
(E)-3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide has a molecular weight of 200.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide is sourced from PubChem (CID 146499013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).