3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide

C20H23FN2O3 — CID 91903819

IUPAC3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCC1CCN(C(=O)c2ccccc2F)CC1)NCc1ccco1
InChIInChI=1S/C20H23FN2O3/c21-18-6-2-1-5-17(18)20(25)23-11-9-15(10-12-23)7-8-19(24)22-14-16-4-3-13-26-16/h1-6,13,15H,7-12,14H2,(H,22,24)
InChIKeyCGTUGZBVUNHEQO-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.37
Rot. Bonds6

About 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide

3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 91903819) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID91903819
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCC1CCN(C(=O)c2ccccc2F)CC1)NCc1ccco1
InChIInChI=1S/C20H23FN2O3/c21-18-6-2-1-5-17(18)20(25)23-11-9-15(10-12-23)7-8-19(24)22-14-16-4-3-13-26-16/h1-6,13,15H,7-12,14H2,(H,22,24)
InChIKeyCGTUGZBVUNHEQO-UHFFFAOYSA-N
XLogP3.37
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24817713
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide
CID 127366432
N-(furan-2-ylmethyl)-1-(2-hydroxybenzoyl)piperidine-4-carboxamide
CID 51102513
N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 91903818
(3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide
CID 92994796
2-(3-cyclopentylpropanoylamino)-N-(furan-2-ylmethyl)benzamide
CID 16576953
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
(3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 95094155
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 34650298
N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239969
N-(4-fluorophenyl)-5-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330783

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide (CID 91903819) is 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide is O=C(CCC1CCN(C(=O)c2ccccc2F)CC1)NCc1ccco1.
What is the InChIKey of 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is CGTUGZBVUNHEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-18-6-2-1-5-17(18)20(25)23-11-9-15(10-12-23)7-8-19(24)22-14-16-4-3-13-26-16/h1-6,13,15H,7-12,14H2,(H,22,24).
What are the key properties of 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide?
3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 358.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 91903819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).