N-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide

C30H33F2N3O2 — CID 66873108

IUPACN-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(c1ccc(CN2CCC3(CC2)OCc2ccncc23)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C30H33F2N3O2/c1-29(2,3)28(36)34-27(22-8-9-25(31)26(32)16-22)21-6-4-20(5-7-21)18-35-14-11-30(12-15-35)24-17-33-13-10-23(24)19-37-30/h4-10,13,16-17,27H,11-12,14-15,18-19H2,1-3H3,(H,34,36)
InChIKeyYJNGTGLWTKXYEN-UHFFFAOYSA-N
MW505.61 g/mol
LogP5.63
Rot. Bonds5

About N-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide

N-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 66873108) has the molecular formula C30H33F2N3O2 and a molecular weight of 505.61 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide
PubChem CID66873108
Molecular FormulaC30H33F2N3O2
Molecular Weight505.61 g/mol
Exact Mass505.25
IUPAC NameN-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(c1ccc(CN2CCC3(CC2)OCc2ccncc23)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C30H33F2N3O2/c1-29(2,3)28(36)34-27(22-8-9-25(31)26(32)16-22)21-6-4-20(5-7-21)18-35-14-11-30(12-15-35)24-17-33-13-10-23(24)19-37-30/h4-10,13,16-17,27H,11-12,14-15,18-19H2,1-3H3,(H,34,36)
InChIKeyYJNGTGLWTKXYEN-UHFFFAOYSA-N
XLogP5.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.61
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[[4-[chloro-(3,4-difluorophenyl)methyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]
CID 66873181
N-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide
CID 66873139
1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one
CID 66873195
N-[(E)-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methylidene]amino]-N-methylacetamide
CID 87616402
(R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide
CID 87186358
(S)-N-[(1R)-1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 123707733
N-[(E)-[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]amino]acetamide
CID 87649970
N-[[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]amino]acetamide
CID 87649971
(E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one
CID 166307470
2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 10255465
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25493079
2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
CID 10097500

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide (CID 66873108) is N-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(c1ccc(CN2CCC3(CC2)OCc2ccncc23)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is YJNGTGLWTKXYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F2N3O2/c1-29(2,3)28(36)34-27(22-8-9-25(31)26(32)16-22)21-6-4-20(5-7-21)18-35-14-11-30(12-15-35)24-17-33-13-10-23(24)19-37-30/h4-10,13,16-17,27H,11-12,14-15,18-19H2,1-3H3,(H,34,36).
What are the key properties of N-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide?
N-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 505.61 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 66873108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).