1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C21H22FN3O2 — CID 55810038

IUPAC1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3F)CC2)nc1
InChIInChI=1S/C21H22FN3O2/c1-15-6-8-19(23-14-15)24-21(27)17-10-12-25(13-11-17)20(26)9-7-16-4-2-3-5-18(16)22/h2-9,14,17H,10-13H2,1H3,(H,23,24,27)/b9-7+
InChIKeyTVMWOOHWFFJHDE-VQHVLOKHSA-N
MW367.42 g/mol
LogP3.42
Rot. Bonds4

About 1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55810038) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55810038
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3F)CC2)nc1
InChIInChI=1S/C21H22FN3O2/c1-15-6-8-19(23-14-15)24-21(27)17-10-12-25(13-11-17)20(26)9-7-16-4-2-3-5-18(16)22/h2-9,14,17H,10-13H2,1H3,(H,23,24,27)/b9-7+
InChIKeyTVMWOOHWFFJHDE-VQHVLOKHSA-N
XLogP3.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55810038) is 1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3F)CC2)nc1.
What is the InChIKey of 1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is TVMWOOHWFFJHDE-VQHVLOKHSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-15-6-8-19(23-14-15)24-21(27)17-10-12-25(13-11-17)20(26)9-7-16-4-2-3-5-18(16)22/h2-9,14,17H,10-13H2,1H3,(H,23,24,27)/b9-7+.
What are the key properties of 1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55810038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).