3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride

C19H24BrClN2O2 — CID 120891725

IUPAC3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cc(Br)cc3ccccc23)CCNCC1.Cl
InChIInChI=1S/C19H23BrN2O2.ClH/c1-24-13-19(6-8-21-9-7-19)12-22-18(23)17-11-15(20)10-14-4-2-3-5-16(14)17;/h2-5,10-11,21H,6-9,12-13H2,1H3,(H,22,23);1H
InChIKeySHJNGMXOSGTDCY-UHFFFAOYSA-N
MW427.77 g/mol
LogP3.77
Rot. Bonds5

About 3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride

3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride (PubChem CID 120891725) has the molecular formula C19H24BrClN2O2 and a molecular weight of 427.77 g/mol. Its IUPAC name is 3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride
PubChem CID120891725
Molecular FormulaC19H24BrClN2O2
Molecular Weight427.77 g/mol
Exact Mass426.07
IUPAC Name3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cc(Br)cc3ccccc23)CCNCC1.Cl
InChIInChI=1S/C19H23BrN2O2.ClH/c1-24-13-19(6-8-21-9-7-19)12-22-18(23)17-11-15(20)10-14-4-2-3-5-16(14)17;/h2-5,10-11,21H,6-9,12-13H2,1H3,(H,22,23);1H
InChIKeySHJNGMXOSGTDCY-UHFFFAOYSA-N
XLogP3.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.77
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride 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

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120892003
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
4-bromo-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890726
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
2-bromo-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891841
3-bromo-5-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887847
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 120887710
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfanylbenzamide;hydrochloride
CID 120889312
2-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide;hydrochloride
CID 120889114
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613
2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120892177

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride?
The IUPAC name of 3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride (CID 120891725) is 3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride?
The canonical SMILES for 3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride is COCC1(CNC(=O)c2cc(Br)cc3ccccc23)CCNCC1.Cl.
What is the InChIKey of 3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride?
The InChIKey is SHJNGMXOSGTDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2.ClH/c1-24-13-19(6-8-21-9-7-19)12-22-18(23)17-11-15(20)10-14-4-2-3-5-16(14)17;/h2-5,10-11,21H,6-9,12-13H2,1H3,(H,22,23);1H.
What are the key properties of 3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride?
3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride has a molecular weight of 427.77 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride is sourced from PubChem (CID 120891725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).