N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C29H35N3O2 — CID 46456130

About N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 46456130) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
• PubChem CID: 46456130
• Molecular Formula: C29H35N3O2
• Molecular Weight: 457.62 g/mol
• Exact Mass: 457.27
• IUPAC Name: N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
• SMILES: CC(C)N(C)Cc1ccccc1CNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
• InChI: InChI=1S/C29H35N3O2/c1-21(2)31(3)19-24-12-5-4-11-23(24)18-30-28(33)25-14-9-17-32(20-25)29(34)27-16-8-13-22-10-6-7-15-26(22)27/h4-8,10-13,15-16,21,25H,9,14,17-20H2,1-3H3,(H,30,33)
• InChIKey: VFXKDMDYHFSZOR-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.62
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?

The IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 46456130) is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

What is the SMILES notation for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?

The canonical SMILES for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is CC(C)N(C)Cc1ccccc1CNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1.

What is the InChIKey of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?

The InChIKey is VFXKDMDYHFSZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-21(2)31(3)19-24-12-5-4-11-23(24)18-30-28(33)25-14-9-17-32(20-25)29(34)27-16-8-13-22-10-6-7-15-26(22)27/h4-8,10-13,15-16,21,25H,9,14,17-20H2,1-3H3,(H,30,33).

What are the key properties of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?

N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46456130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).