1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide

C18H19FN2O3 — CID 18103397

IUPAC1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H19FN2O3/c19-15-7-5-13(6-8-15)18(23)21-9-1-3-14(12-21)17(22)20-11-16-4-2-10-24-16/h2,4-8,10,14H,1,3,9,11-12H2,(H,20,22)
InChIKeyKRHLIRQSKQGLJH-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.59
Rot. Bonds4

About 1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide

1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 18103397) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID18103397
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H19FN2O3/c19-15-7-5-13(6-8-15)18(23)21-9-1-3-14(12-21)17(22)20-11-16-4-2-10-24-16/h2,4-8,10,14H,1,3,9,11-12H2,(H,20,22)
InChIKeyKRHLIRQSKQGLJH-UHFFFAOYSA-N
XLogP2.59
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239969
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 136545141
1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977
1-(4-fluorobenzoyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 55657080
1-(3,4-difluorobenzoyl)-N-(furan-2-ylmethyl)azetidine-3-carboxamide
CID 56724413
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
1-(4-fluorobenzoyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134023186
1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 87041460
1-(4-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 18154535
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 18103397) is 1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccco1)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is KRHLIRQSKQGLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-15-7-5-13(6-8-15)18(23)21-9-1-3-14(12-21)17(22)20-11-16-4-2-10-24-16/h2,4-8,10,14H,1,3,9,11-12H2,(H,20,22).
What are the key properties of 1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 18103397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).