4-[[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide

C30H38N4O2 — CID 10096939

IUPAC4-[[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5[nH]ccc45)CC3)CC2)cc1
InChIInChI=1S/C30H38N4O2/c1-21(2)32-29(35)24-8-6-22(7-9-24)20-23-11-16-33(17-12-23)25-13-18-34(19-14-25)30(36)27-4-3-5-28-26(27)10-15-31-28/h3-10,15,21,23,25,31H,11-14,16-20H2,1-2H3,(H,32,35)
InChIKeyOZVKBSWZNCTCGQ-UHFFFAOYSA-N
MW486.66 g/mol
LogP4.87
Rot. Bonds6

About 4-[[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide

4-[[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide (PubChem CID 10096939) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 4-[[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide
PubChem CID10096939
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC Name4-[[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5[nH]ccc45)CC3)CC2)cc1
InChIInChI=1S/C30H38N4O2/c1-21(2)32-29(35)24-8-6-22(7-9-24)20-23-11-16-33(17-12-23)25-13-18-34(19-14-25)30(36)27-4-3-5-28-26(27)10-15-31-28/h3-10,15,21,23,25,31H,11-14,16-20H2,1-2H3,(H,32,35)
InChIKeyOZVKBSWZNCTCGQ-UHFFFAOYSA-N
XLogP4.87
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide (CID 10096939) is 4-[[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5[nH]ccc45)CC3)CC2)cc1.
What is the InChIKey of 4-[[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide?
The InChIKey is OZVKBSWZNCTCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O2/c1-21(2)32-29(35)24-8-6-22(7-9-24)20-23-11-16-33(17-12-23)25-13-18-34(19-14-25)30(36)27-4-3-5-28-26(27)10-15-31-28/h3-10,15,21,23,25,31H,11-14,16-20H2,1-2H3,(H,32,35).
What are the key properties of 4-[[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide?
4-[[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide has a molecular weight of 486.66 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 10096939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).