N-(1-benzylpiperidin-4-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide

C23H27N3O2 — CID 11111624

IUPACN-(1-benzylpiperidin-4-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NC3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C23H27N3O2/c1-28-20-7-8-22-21(14-20)18(15-24-22)13-23(27)25-19-9-11-26(12-10-19)16-17-5-3-2-4-6-17/h2-8,14-15,19,24H,9-13,16H2,1H3,(H,25,27)
InChIKeyJJPCYSLLOMRTSB-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.50
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide (PubChem CID 11111624) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide
PubChem CID11111624
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NC3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C23H27N3O2/c1-28-20-7-8-22-21(14-20)18(15-24-22)13-23(27)25-19-9-11-26(12-10-19)16-17-5-3-2-4-6-17/h2-8,14-15,19,24H,9-13,16H2,1H3,(H,25,27)
InChIKeyJJPCYSLLOMRTSB-UHFFFAOYSA-N
XLogP3.50
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide (CID 11111624) is N-(1-benzylpiperidin-4-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide is COc1ccc2[nH]cc(CC(=O)NC3CCN(Cc4ccccc4)CC3)c2c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide?
The InChIKey is JJPCYSLLOMRTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-28-20-7-8-22-21(14-20)18(15-24-22)13-23(27)25-19-9-11-26(12-10-19)16-17-5-3-2-4-6-17/h2-8,14-15,19,24H,9-13,16H2,1H3,(H,25,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 11111624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).