1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C28H29ClN4O — CID 50807682

About 1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 50807682) has the molecular formula C28H29ClN4O and a molecular weight of 473.02 g/mol. Its IUPAC name is 1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
• PubChem CID: 50807682
• Molecular Formula: C28H29ClN4O
• Molecular Weight: 473.02 g/mol
• Exact Mass: 472.20
• IUPAC Name: 1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
• SMILES: O=C(NCc1ccccn1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1
• InChI: InChI=1S/C28H29ClN4O/c29-24-8-5-6-21(16-24)19-33-26(17-23-7-1-2-10-27(23)33)20-32-14-11-22(12-15-32)28(34)31-18-25-9-3-4-13-30-25/h1-10,13,16-17,22H,11-12,14-15,18-20H2,(H,31,34)
• InChIKey: GAWLBRNHKOVGMI-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.02
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?

The IUPAC name of 1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 50807682) is 1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?

The canonical SMILES for 1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccccn1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1.

What is the InChIKey of 1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?

The InChIKey is GAWLBRNHKOVGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O/c29-24-8-5-6-21(16-24)19-33-26(17-23-7-1-2-10-27(23)33)20-32-14-11-22(12-15-32)28(34)31-18-25-9-3-4-13-30-25/h1-10,13,16-17,22H,11-12,14-15,18-20H2,(H,31,34).

What are the key properties of 1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?

1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 473.02 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 50807682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).