1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide

C26H27ClFN3O3 — CID 3914029

IUPAC1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(CN(Cc3cccc(F)c3)Cc3ccccc3Cl)o2)CC1
InChIInChI=1S/C26H27ClFN3O3/c27-23-7-2-1-5-20(23)16-30(15-18-4-3-6-21(28)14-18)17-22-8-9-24(34-22)26(33)31-12-10-19(11-13-31)25(29)32/h1-9,14,19H,10-13,15-17H2,(H2,29,32)
InChIKeyOKADCSVUCADDHO-UHFFFAOYSA-N
MW483.97 g/mol
LogP4.61
Rot. Bonds8

About 1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide

1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide (PubChem CID 3914029) has the molecular formula C26H27ClFN3O3 and a molecular weight of 483.97 g/mol. Its IUPAC name is 1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide
PubChem CID3914029
Molecular FormulaC26H27ClFN3O3
Molecular Weight483.97 g/mol
Exact Mass483.17
IUPAC Name1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(CN(Cc3cccc(F)c3)Cc3ccccc3Cl)o2)CC1
InChIInChI=1S/C26H27ClFN3O3/c27-23-7-2-1-5-20(23)16-30(15-18-4-3-6-21(28)14-18)17-22-8-9-24(34-22)26(33)31-12-10-19(11-13-31)25(29)32/h1-9,14,19H,10-13,15-17H2,(H2,29,32)
InChIKeyOKADCSVUCADDHO-UHFFFAOYSA-N
XLogP4.61
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.97
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide
CID 5038948
[5-[[(3-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 1200054
[5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 4030904
[5-[[(4-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 5161062
ethyl 1-[5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-3-carboxylate
CID 42753712
[5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42753707
1-[4-[5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 4029039
1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 51159283
[5-[[benzyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 5003913
ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate
CID 3528580
[5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 4270423
1-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 71899552

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide (CID 3914029) is 1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(CN(Cc3cccc(F)c3)Cc3ccccc3Cl)o2)CC1.
What is the InChIKey of 1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is OKADCSVUCADDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN3O3/c27-23-7-2-1-5-20(23)16-30(15-18-4-3-6-21(28)14-18)17-22-8-9-24(34-22)26(33)31-12-10-19(11-13-31)25(29)32/h1-9,14,19H,10-13,15-17H2,(H2,29,32).
What are the key properties of 1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide?
1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 483.97 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 3914029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).