N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide

C29H35FN4O — CID 71460524

IUPACN-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)N1CCCN(Cc2ccc3cc(F)ccc3c2)CC1
InChIInChI=1S/C29H35FN4O/c30-27-10-9-25-19-24(7-8-26(25)20-27)22-32-13-4-14-34(18-17-32)29(35)31-28-11-15-33(16-12-28)21-23-5-2-1-3-6-23/h1-3,5-10,19-20,28H,4,11-18,21-22H2,(H,31,35)
InChIKeyRCRNSMOEIUFERY-UHFFFAOYSA-N
MW474.62 g/mol
LogP4.86
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide

N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide (PubChem CID 71460524) has the molecular formula C29H35FN4O and a molecular weight of 474.62 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide
PubChem CID71460524
Molecular FormulaC29H35FN4O
Molecular Weight474.62 g/mol
Exact Mass474.28
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)N1CCCN(Cc2ccc3cc(F)ccc3c2)CC1
InChIInChI=1S/C29H35FN4O/c30-27-10-9-25-19-24(7-8-26(25)20-27)22-32-13-4-14-34(18-17-32)29(35)31-28-11-15-33(16-12-28)21-23-5-2-1-3-6-23/h1-3,5-10,19-20,28H,4,11-18,21-22H2,(H,31,35)
InChIKeyRCRNSMOEIUFERY-UHFFFAOYSA-N
XLogP4.86
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

4-[(6-fluoronaphthalen-2-yl)methyl]-N-[1-(2-hydroxyphenyl)sulfonylpiperidin-4-yl]-1,4-diazepane-1-carboxamide
CID 71453337
[4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylphenyl)methanone
CID 45269377
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-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901440
cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 165434097
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 94493957
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
CID 138998311
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
4-benzyl-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7547868
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide (CID 71460524) is N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)N1CCCN(Cc2ccc3cc(F)ccc3c2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide?
The InChIKey is RCRNSMOEIUFERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN4O/c30-27-10-9-25-19-24(7-8-26(25)20-27)22-32-13-4-14-34(18-17-32)29(35)31-28-11-15-33(16-12-28)21-23-5-2-1-3-6-23/h1-3,5-10,19-20,28H,4,11-18,21-22H2,(H,31,35).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide has a molecular weight of 474.62 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 71460524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).