2-methyl-5-[(1-methylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C26H31N3O — CID 156907158

IUPAC2-methyl-5-[(1-methylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(NC2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C26H31N3O/c1-18-11-12-22(28-21-13-15-29(3)16-14-21)17-25(18)26(30)27-19(2)23-10-6-8-20-7-4-5-9-24(20)23/h4-12,17,19,21,28H,13-16H2,1-3H3,(H,27,30)/t19-/m1/s1
InChIKeyUGSXTJOTPOFHOD-LJQANCHMSA-N
MW401.55 g/mol
LogP5.15
Rot. Bonds5

About 2-methyl-5-[(1-methylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

2-methyl-5-[(1-methylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 156907158) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is 2-methyl-5-[(1-methylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[(1-methylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID156907158
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name2-methyl-5-[(1-methylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(NC2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C26H31N3O/c1-18-11-12-22(28-21-13-15-29(3)16-14-21)17-25(18)26(30)27-19(2)23-10-6-8-20-7-4-5-9-24(20)23/h4-12,17,19,21,28H,13-16H2,1-3H3,(H,27,30)/t19-/m1/s1
InChIKeyUGSXTJOTPOFHOD-LJQANCHMSA-N
XLogP5.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-methylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 2-methyl-5-[(1-methylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 156907158) is 2-methyl-5-[(1-methylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 2-methyl-5-[(1-methylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 2-methyl-5-[(1-methylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is Cc1ccc(NC2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-5-[(1-methylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is UGSXTJOTPOFHOD-LJQANCHMSA-N. The full InChI is InChI=1S/C26H31N3O/c1-18-11-12-22(28-21-13-15-29(3)16-14-21)17-25(18)26(30)27-19(2)23-10-6-8-20-7-4-5-9-24(20)23/h4-12,17,19,21,28H,13-16H2,1-3H3,(H,27,30)/t19-/m1/s1.
What are the key properties of 2-methyl-5-[(1-methylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
2-methyl-5-[(1-methylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 401.55 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1-methylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 156907158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).