2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide

C27H29FN4O2 — CID 55912566

IUPAC2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)NC(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C27H29FN4O2/c28-22-13-11-20(12-14-22)19-32-17-15-24(16-18-32)30-27(34)31-25(21-7-3-1-4-8-21)26(33)29-23-9-5-2-6-10-23/h1-14,24-25H,15-19H2,(H,29,33)(H2,30,31,34)
InChIKeyQQWGDVFPDLZYBQ-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.47
Rot. Bonds7

About 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide

2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide (PubChem CID 55912566) has the molecular formula C27H29FN4O2 and a molecular weight of 460.55 g/mol. Its IUPAC name is 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
PubChem CID55912566
Molecular FormulaC27H29FN4O2
Molecular Weight460.55 g/mol
Exact Mass460.23
IUPAC Name2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)NC(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C27H29FN4O2/c28-22-13-11-20(12-14-22)19-32-17-15-24(16-18-32)30-27(34)31-25(21-7-3-1-4-8-21)26(33)29-23-9-5-2-6-10-23/h1-14,24-25H,15-19H2,(H,29,33)(H2,30,31,34)
InChIKeyQQWGDVFPDLZYBQ-UHFFFAOYSA-N
XLogP4.47
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
CID 55911896
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide
CID 41099183
1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea
CID 51726136
(2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide
CID 51957933
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
N-(2-anilino-2-oxo-1-phenylethyl)-3-(4-fluorophenyl)propanamide
CID 55779002
3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 155425453
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methyl-1-phenylpropyl)urea
CID 60543923

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide?
The IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide (CID 55912566) is 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide.
What is the SMILES notation for 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide?
The canonical SMILES for 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)NC(C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide?
The InChIKey is QQWGDVFPDLZYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O2/c28-22-13-11-20(12-14-22)19-32-17-15-24(16-18-32)30-27(34)31-25(21-7-3-1-4-8-21)26(33)29-23-9-5-2-6-10-23/h1-14,24-25H,15-19H2,(H,29,33)(H2,30,31,34).
What are the key properties of 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide?
2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide has a molecular weight of 460.55 g/mol, XLogP of 4.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide is sourced from PubChem (CID 55912566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).