N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide

C27H35N3O2 — CID 140931219

About N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide

N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 140931219) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide
• PubChem CID: 140931219
• Molecular Formula: C27H35N3O2
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.27
• IUPAC Name: N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide
• SMILES: COc1cccc(CCN2CCCC(CN(C(=O)c3cc4ccccc4[nH]3)C(C)C)C2)c1
• InChI: InChI=1S/C27H35N3O2/c1-20(2)30(27(31)26-17-23-10-4-5-12-25(23)28-26)19-22-9-7-14-29(18-22)15-13-21-8-6-11-24(16-21)32-3/h4-6,8,10-12,16-17,20,22,28H,7,9,13-15,18-19H2,1-3H3
• InChIKey: CANWMGRGZMQYGP-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 48.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide?

The IUPAC name of N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide (CID 140931219) is N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide.

What is the SMILES notation for N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide?

The canonical SMILES for N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide is COc1cccc(CCN2CCCC(CN(C(=O)c3cc4ccccc4[nH]3)C(C)C)C2)c1.

What is the InChIKey of N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide?

The InChIKey is CANWMGRGZMQYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-20(2)30(27(31)26-17-23-10-4-5-12-25(23)28-26)19-22-9-7-14-29(18-22)15-13-21-8-6-11-24(16-21)32-3/h4-6,8,10-12,16-17,20,22,28H,7,9,13-15,18-19H2,1-3H3.

What are the key properties of N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide?

N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 140931219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).