N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide

C27H35N3O — CID 94223708

About N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide

N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 94223708) has the molecular formula C27H35N3O and a molecular weight of 417.60 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 94223708
• Molecular Formula: C27H35N3O
• Molecular Weight: 417.60 g/mol
• Exact Mass: 417.28
• IUPAC Name: N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
• SMILES: CC[C@@H](C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2C)CC1
• InChI: InChI=1S/C27H35N3O/c1-4-21(3)28-27(31)22-13-15-29(16-14-22)19-25-17-23-10-7-8-12-26(23)30(25)18-24-11-6-5-9-20(24)2/h5-12,17,21-22H,4,13-16,18-19H2,1-3H3,(H,28,31)/t21-/m1/s1
• InChIKey: CWEGONVCZTZXGV-OAQYLSRUSA-N
• XLogP: 5.12
• TPSA: 37.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.60
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?

The IUPAC name of N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide (CID 94223708) is N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?

The canonical SMILES for N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide is CC[C@@H](C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2C)CC1.

What is the InChIKey of N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?

The InChIKey is CWEGONVCZTZXGV-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H35N3O/c1-4-21(3)28-27(31)22-13-15-29(16-14-22)19-25-17-23-10-7-8-12-26(23)30(25)18-24-11-6-5-9-20(24)2/h5-12,17,21-22H,4,13-16,18-19H2,1-3H3,(H,28,31)/t21-/m1/s1.

What are the key properties of N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?

N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 417.60 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 94223708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).