1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide

C25H24FN3O4 — CID 34650298

IUPAC1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H24FN3O4/c26-19-9-7-18(8-10-19)25(32)29-13-11-17(12-14-29)23(30)28-22-6-2-1-5-21(22)24(31)27-16-20-4-3-15-33-20/h1-10,15,17H,11-14,16H2,(H,27,31)(H,28,30)
InChIKeyLXQPAJDBURGHNB-UHFFFAOYSA-N
MW449.48 g/mol
LogP3.84
Rot. Bonds6

About 1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 34650298) has the molecular formula C25H24FN3O4 and a molecular weight of 449.48 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID34650298
Molecular FormulaC25H24FN3O4
Molecular Weight449.48 g/mol
Exact Mass449.18
IUPAC Name1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H24FN3O4/c26-19-9-7-18(8-10-19)25(32)29-13-11-17(12-14-29)23(30)28-22-6-2-1-5-21(22)24(31)27-16-20-4-3-15-33-20/h1-10,15,17H,11-14,16H2,(H,27,31)(H,28,30)
InChIKeyLXQPAJDBURGHNB-UHFFFAOYSA-N
XLogP3.84
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorobenzoyl)-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 34757635
1-(4-fluorobenzoyl)-N-[2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 51218219
1-(4-fluorobenzoyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 17224013
N-(furan-2-ylmethyl)-1-(2-hydroxybenzoyl)piperidine-4-carboxamide
CID 51102513
1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 18103397
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923638
N-(2,3-dichlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 1327552
6-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4592767
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 34650298) is 1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide is O=C(NCc1ccco1)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is LXQPAJDBURGHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4/c26-19-9-7-18(8-10-19)25(32)29-13-11-17(12-14-29)23(30)28-22-6-2-1-5-21(22)24(31)27-16-20-4-3-15-33-20/h1-10,15,17H,11-14,16H2,(H,27,31)(H,28,30).
What are the key properties of 1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 449.48 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 34650298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).