N-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

C31H34FN5O2 — CID 62705813

IUPACN-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESO=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc2cc(F)ccc2c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C31H34FN5O2/c32-23-8-7-21-15-20(5-6-22(21)16-23)19-36-26-9-10-27(36)18-24(17-26)33-30(38)35-13-11-25(12-14-35)37-29-4-2-1-3-28(29)34-31(37)39/h1-8,15-16,24-27H,9-14,17-19H2,(H,33,38)(H,34,39)/t24?,26-,27+
InChIKeyHWVQJBGFQNRSON-AHQDKWRSSA-N
MW527.64 g/mol
LogP5.16
Rot. Bonds4

About N-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

N-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (PubChem CID 62705813) has the molecular formula C31H34FN5O2 and a molecular weight of 527.64 g/mol. Its IUPAC name is N-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
PubChem CID62705813
Molecular FormulaC31H34FN5O2
Molecular Weight527.64 g/mol
Exact Mass527.27
IUPAC NameN-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESO=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc2cc(F)ccc2c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C31H34FN5O2/c32-23-8-7-21-15-20(5-6-22(21)16-23)19-36-26-9-10-27(36)18-24(17-26)33-30(38)35-13-11-25(12-14-35)37-29-4-2-1-3-28(29)34-31(37)39/h1-8,15-16,24-27H,9-14,17-19H2,(H,33,38)(H,34,39)/t24?,26-,27+
InChIKeyHWVQJBGFQNRSON-AHQDKWRSSA-N
XLogP5.16
TPSA73.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.64
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-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

4-(4-fluorobenzoyl)-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,4-diazepane-1-carboxamide
CID 76954977
4-(4-fluorobenzoyl)-N-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,4-diazepane-1-carboxamide
CID 62705983
N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 70690518
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide
CID 14762870
3-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735754
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 167872050
3-[1-[5-fluoro-2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44757507
(2S)-2-N-[(2-bromophenyl)methyl]-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-1,2-dicarboxamide
CID 10188747
N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 128698136
(2S)-2-N-(2-chlorophenyl)-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-1,2-dicarboxamide
CID 10208879
3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 94526549

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (CID 62705813) is N-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc2cc(F)ccc2c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of N-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The InChIKey is HWVQJBGFQNRSON-AHQDKWRSSA-N. The full InChI is InChI=1S/C31H34FN5O2/c32-23-8-7-21-15-20(5-6-22(21)16-23)19-36-26-9-10-27(36)18-24(17-26)33-30(38)35-13-11-25(12-14-35)37-29-4-2-1-3-28(29)34-31(37)39/h1-8,15-16,24-27H,9-14,17-19H2,(H,33,38)(H,34,39)/t24?,26-,27+.
What are the key properties of N-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
N-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide has a molecular weight of 527.64 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 62705813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).