N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide

C27H27F2N3O2 — CID 42791623

IUPACN-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NC3CCN(Cc4ccccc4)CC3)n2Cc2cc(F)cc(F)c2)o1
InChIInChI=1S/C27H27F2N3O2/c1-18-11-24-26(34-18)15-25(32(24)17-20-12-21(28)14-22(29)13-20)27(33)30-23-7-9-31(10-8-23)16-19-5-3-2-4-6-19/h2-6,11-15,23H,7-10,16-17H2,1H3,(H,30,33)
InChIKeyPDVQFSHKOOSWED-UHFFFAOYSA-N
MW463.53 g/mol
LogP5.26
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 42791623) has the molecular formula C27H27F2N3O2 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
PubChem CID42791623
Molecular FormulaC27H27F2N3O2
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NC3CCN(Cc4ccccc4)CC3)n2Cc2cc(F)cc(F)c2)o1
InChIInChI=1S/C27H27F2N3O2/c1-18-11-24-26(34-18)15-25(32(24)17-20-12-21(28)14-22(29)13-20)27(33)30-23-7-9-31(10-8-23)16-19-5-3-2-4-6-19/h2-6,11-15,23H,7-10,16-17H2,1H3,(H,30,33)
InChIKeyPDVQFSHKOOSWED-UHFFFAOYSA-N
XLogP5.26
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791222
4-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791614
N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide
CID 13490823
(4-benzylpiperazin-1-yl)-[2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrol-5-yl]methanone
CID 42791548
ethyl 1-(4-benzyl-2-methylfuro[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxylate
CID 3553290
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate
CID 46491360
4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid
CID 122176392
N-(1-benzylpiperidin-4-yl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 39895915
[2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid
CID 68709667
N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide
CID 55532512
N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 42791477

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide (CID 42791623) is N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide is Cc1cc2c(cc(C(=O)NC3CCN(Cc4ccccc4)CC3)n2Cc2cc(F)cc(F)c2)o1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is PDVQFSHKOOSWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N3O2/c1-18-11-24-26(34-18)15-25(32(24)17-20-12-21(28)14-22(29)13-20)27(33)30-23-7-9-31(10-8-23)16-19-5-3-2-4-6-19/h2-6,11-15,23H,7-10,16-17H2,1H3,(H,30,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42791623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).