1-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-pentylpiperidine-4-carboxamide

C24H29FN2O2S — CID 55962797

IUPAC1-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)C=Cc2ccc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C24H29FN2O2S/c1-2-3-6-15-26-24(29)18-13-16-27(17-14-18)23(28)12-10-19-9-11-22(30-19)20-7-4-5-8-21(20)25/h4-5,7-12,18H,2-3,6,13-17H2,1H3,(H,26,29)
InChIKeyDFWYYSXLFXYETO-UHFFFAOYSA-N
MW428.57 g/mol
LogP5.11
Rot. Bonds8

About 1-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-pentylpiperidine-4-carboxamide

1-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 55962797) has the molecular formula C24H29FN2O2S and a molecular weight of 428.57 g/mol. Its IUPAC name is 1-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-pentylpiperidine-4-carboxamide
PubChem CID55962797
Molecular FormulaC24H29FN2O2S
Molecular Weight428.57 g/mol
Exact Mass428.19
IUPAC Name1-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)C=Cc2ccc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C24H29FN2O2S/c1-2-3-6-15-26-24(29)18-13-16-27(17-14-18)23(28)12-10-19-9-11-22(30-19)20-7-4-5-8-21(20)25/h4-5,7-12,18H,2-3,6,13-17H2,1H3,(H,26,29)
InChIKeyDFWYYSXLFXYETO-UHFFFAOYSA-N
XLogP5.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.57
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(5-bromothiophen-2-yl)prop-2-enoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 78871223
1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
CID 46549939
N-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide
CID 26462653
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152559
(E)-4-[4-(butylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 60948862
N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
CID 113005611
(E)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-en-1-one
CID 36706693
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
N-[2-(2-fluorophenyl)ethyl]-1-[3-(2-nitrophenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 55779276
1-(2-aminobenzoyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119944482
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-pentylpiperidine-4-carboxamide (CID 55962797) is 1-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)C=Cc2ccc(-c3ccccc3F)s2)CC1.
What is the InChIKey of 1-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is DFWYYSXLFXYETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2S/c1-2-3-6-15-26-24(29)18-13-16-27(17-14-18)23(28)12-10-19-9-11-22(30-19)20-7-4-5-8-21(20)25/h4-5,7-12,18H,2-3,6,13-17H2,1H3,(H,26,29).
What are the key properties of 1-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-pentylpiperidine-4-carboxamide?
1-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 428.57 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 55962797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).