1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide

C16H19FN2O2 — CID 71897286

IUPAC1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)C=Cc1cccc(F)c1
InChIInChI=1S/C16H19FN2O2/c1-18-16(21)14-7-2-3-10-19(14)15(20)9-8-12-5-4-6-13(17)11-12/h4-6,8-9,11,14H,2-3,7,10H2,1H3,(H,18,21)
InChIKeyKCGILEUCWXQOSP-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.97
Rot. Bonds3

About 1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide

1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide (PubChem CID 71897286) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
PubChem CID71897286
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)C=Cc1cccc(F)c1
InChIInChI=1S/C16H19FN2O2/c1-18-16(21)14-7-2-3-10-19(14)15(20)9-8-12-5-4-6-13(17)11-12/h4-6,8-9,11,14H,2-3,7,10H2,1H3,(H,18,21)
InChIKeyKCGILEUCWXQOSP-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.97
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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Related Compounds

1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 71897284
methyl 1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylate
CID 43410235
1-[3-(2-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 71897283
1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide
CID 115343409
1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-4-methylpiperidine-2-carboxylic acid
CID 114421740
3-(3-fluorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 73010756
1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidine-2-carboxylic acid
CID 43092189
(E)-3-(3-fluorophenyl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 102738505
1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 74868259
3-(3-fluorophenyl)-1-[(3S)-4-[3-(3-fluorophenyl)prop-2-enoyl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 78906132
1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide
CID 77100908
(3R,6R)-1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 95146129

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide (CID 71897286) is 1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)C=Cc1cccc(F)c1.
What is the InChIKey of 1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is KCGILEUCWXQOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-18-16(21)14-7-2-3-10-19(14)15(20)9-8-12-5-4-6-13(17)11-12/h4-6,8-9,11,14H,2-3,7,10H2,1H3,(H,18,21).
What are the key properties of 1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide?
1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 71897286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).