5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide

C23H23BrN2O — CID 4006206

IUPAC5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide
SMILESCC1CCN(c2ccccc2NC(=O)c2cccc3c(Br)cccc23)CC1
InChIInChI=1S/C23H23BrN2O/c1-16-12-14-26(15-13-16)22-11-3-2-10-21(22)25-23(27)19-8-4-7-18-17(19)6-5-9-20(18)24/h2-11,16H,12-15H2,1H3,(H,25,27)
InChIKeyNWZQVQLJUAWLCB-UHFFFAOYSA-N
MW423.35 g/mol
LogP6.09
Rot. Bonds3

About 5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide

5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 4006206) has the molecular formula C23H23BrN2O and a molecular weight of 423.35 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide
PubChem CID4006206
Molecular FormulaC23H23BrN2O
Molecular Weight423.35 g/mol
Exact Mass422.10
IUPAC Name5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide
SMILESCC1CCN(c2ccccc2NC(=O)c2cccc3c(Br)cccc23)CC1
InChIInChI=1S/C23H23BrN2O/c1-16-12-14-26(15-13-16)22-11-3-2-10-21(22)25-23(27)19-8-4-7-18-17(19)6-5-9-20(18)24/h2-11,16H,12-15H2,1H3,(H,25,27)
InChIKeyNWZQVQLJUAWLCB-UHFFFAOYSA-N
XLogP6.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.35
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 4003180
2,4-dichloro-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 3478464
2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 39737929
2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 3890759
5-chloro-2-methoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 2953935
3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 4201717
N-[2-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
CID 4538085
N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 979888
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide
CID 17177061
2-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]benzamide
CID 110900198
N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide
CID 55548838
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 1254482

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide (CID 4006206) is 5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide is CC1CCN(c2ccccc2NC(=O)c2cccc3c(Br)cccc23)CC1.
What is the InChIKey of 5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is NWZQVQLJUAWLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O/c1-16-12-14-26(15-13-16)22-11-3-2-10-21(22)25-23(27)19-8-4-7-18-17(19)6-5-9-20(18)24/h2-11,16H,12-15H2,1H3,(H,25,27).
What are the key properties of 5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide?
5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 423.35 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 4006206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).