8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide

C17H19BrN2O — CID 171661881

IUPAC8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide
SMILESCN1CCC(NC(=O)c2cccc3cccc(Br)c23)CC1
InChIInChI=1S/C17H19BrN2O/c1-20-10-8-13(9-11-20)19-17(21)14-6-2-4-12-5-3-7-15(18)16(12)14/h2-7,13H,8-11H2,1H3,(H,19,21)
InChIKeyJJPQYMNBLJKIDT-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.43
Rot. Bonds2

About 8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide

8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide (PubChem CID 171661881) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide
PubChem CID171661881
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide
SMILESCN1CCC(NC(=O)c2cccc3cccc(Br)c23)CC1
InChIInChI=1S/C17H19BrN2O/c1-20-10-8-13(9-11-20)19-17(21)14-6-2-4-12-5-3-7-15(18)16(12)14/h2-7,13H,8-11H2,1H3,(H,19,21)
InChIKeyJJPQYMNBLJKIDT-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
CID 55857067
5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 65306983
3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide
CID 79036258
4-bromo-N-(1-methylpiperidin-4-yl)-2-sulfanylbenzamide
CID 107022653
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
2-chloro-N-(1-methylpiperidin-4-yl)-3-nitrobenzamide
CID 115930905
N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214552
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide?
The IUPAC name of 8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide (CID 171661881) is 8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide?
The canonical SMILES for 8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide is CN1CCC(NC(=O)c2cccc3cccc(Br)c23)CC1.
What is the InChIKey of 8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide?
The InChIKey is JJPQYMNBLJKIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-20-10-8-13(9-11-20)19-17(21)14-6-2-4-12-5-3-7-15(18)16(12)14/h2-7,13H,8-11H2,1H3,(H,19,21).
What are the key properties of 8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide?
8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide has a molecular weight of 347.26 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 171661881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).