N-[(3-bromonaphthalen-1-yl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide

C26H28BrFN2O — CID 68933929

IUPACN-[(3-bromonaphthalen-1-yl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide
SMILESCN1CCC(CC(=O)N(C)Cc2cc(Br)cc3ccccc23)(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H28BrFN2O/c1-29-13-11-26(12-14-29,21-7-9-23(28)10-8-21)17-25(31)30(2)18-20-16-22(27)15-19-5-3-4-6-24(19)20/h3-10,15-16H,11-14,17-18H2,1-2H3
InChIKeyQWEZCEAPSHUXTH-UHFFFAOYSA-N
MW483.43 g/mol
LogP5.75
Rot. Bonds5

About N-[(3-bromonaphthalen-1-yl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide

N-[(3-bromonaphthalen-1-yl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide (PubChem CID 68933929) has the molecular formula C26H28BrFN2O and a molecular weight of 483.43 g/mol. Its IUPAC name is N-[(3-bromonaphthalen-1-yl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-bromonaphthalen-1-yl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide
PubChem CID68933929
Molecular FormulaC26H28BrFN2O
Molecular Weight483.43 g/mol
Exact Mass482.14
IUPAC NameN-[(3-bromonaphthalen-1-yl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide
SMILESCN1CCC(CC(=O)N(C)Cc2cc(Br)cc3ccccc23)(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H28BrFN2O/c1-29-13-11-26(12-14-29,21-7-9-23(28)10-8-21)17-25(31)30(2)18-20-16-22(27)15-19-5-3-4-6-24(19)20/h3-10,15-16H,11-14,17-18H2,1-2H3
InChIKeyQWEZCEAPSHUXTH-UHFFFAOYSA-N
XLogP5.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.43
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[ethyl-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methyl]amino]methyl]naphthalene-2-carbonitrile
CID 58612361
3-cyano-N-[[1-ethyl-4-(4-fluorophenyl)piperidin-4-yl]methyl]-N-methylnaphthalene-1-carboxamide
CID 10477743
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(1-methyl-4-phenylpiperidin-4-yl)acetamide
CID 87664806
7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline
CID 68845464
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55596607
2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 81172216
N-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242109
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
CID 113214294
tert-butyl 4-[2-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-methylamino]-2-oxoethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 87665157
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119312630
1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone
CID 63528898

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromonaphthalen-1-yl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[(3-bromonaphthalen-1-yl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide (CID 68933929) is N-[(3-bromonaphthalen-1-yl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3-bromonaphthalen-1-yl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[(3-bromonaphthalen-1-yl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide is CN1CCC(CC(=O)N(C)Cc2cc(Br)cc3ccccc23)(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(3-bromonaphthalen-1-yl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide?
The InChIKey is QWEZCEAPSHUXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrFN2O/c1-29-13-11-26(12-14-29,21-7-9-23(28)10-8-21)17-25(31)30(2)18-20-16-22(27)15-19-5-3-4-6-24(19)20/h3-10,15-16H,11-14,17-18H2,1-2H3.
What are the key properties of N-[(3-bromonaphthalen-1-yl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide?
N-[(3-bromonaphthalen-1-yl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide has a molecular weight of 483.43 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromonaphthalen-1-yl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 68933929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).