(3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide

C24H23FN2O3 — CID 92994796

IUPAC(3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C24H23FN2O3/c25-22-11-5-4-10-21(22)24(29)27-15-18(17-7-2-1-3-8-17)13-19(16-27)23(28)26-14-20-9-6-12-30-20/h1-12,18-19H,13-16H2,(H,26,28)/t18-,19-/m0/s1
InChIKeyPMGXCAULYDUQIY-OALUTQOASA-N
MW406.46 g/mol
LogP3.98
Rot. Bonds5

About (3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide

(3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide (PubChem CID 92994796) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is (3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide
PubChem CID92994796
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name(3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C24H23FN2O3/c25-22-11-5-4-10-21(22)24(29)27-15-18(17-7-2-1-3-8-17)13-19(16-27)23(28)26-14-20-9-6-12-30-20/h1-12,18-19H,13-16H2,(H,26,28)/t18-,19-/m0/s1
InChIKeyPMGXCAULYDUQIY-OALUTQOASA-N
XLogP3.98
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994800
1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide
CID 42865550
(3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92994806
1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide
CID 46065319
1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 46067504
1-(3,4-difluorobenzoyl)-N-(furan-2-ylmethyl)azetidine-3-carboxamide
CID 56724413
N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239969
N-(furan-2-ylmethyl)-1-(2-hydroxybenzoyl)piperidine-4-carboxamide
CID 51102513
3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 91903819
1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 18103397
(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 92994765
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide (CID 92994796) is (3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide is O=C(NCc1ccco1)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1.
What is the InChIKey of (3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide?
The InChIKey is PMGXCAULYDUQIY-OALUTQOASA-N. The full InChI is InChI=1S/C24H23FN2O3/c25-22-11-5-4-10-21(22)24(29)27-15-18(17-7-2-1-3-8-17)13-19(16-27)23(28)26-14-20-9-6-12-30-20/h1-12,18-19H,13-16H2,(H,26,28)/t18-,19-/m0/s1.
What are the key properties of (3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide?
(3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 92994796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).