1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone

C22H24N2O — CID 113088043

IUPAC1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
SMILESCc1ccc2[nH]c(C3CCN(C(=O)Cc4ccccc4)CC3)cc2c1
InChIInChI=1S/C22H24N2O/c1-16-7-8-20-19(13-16)15-21(23-20)18-9-11-24(12-10-18)22(25)14-17-5-3-2-4-6-17/h2-8,13,15,18,23H,9-12,14H2,1H3
InChIKeyKZENUGVOWWBBHY-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.43
Rot. Bonds3

About 1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone

1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone (PubChem CID 113088043) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
PubChem CID113088043
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
SMILESCc1ccc2[nH]c(C3CCN(C(=O)Cc4ccccc4)CC3)cc2c1
InChIInChI=1S/C22H24N2O/c1-16-7-8-20-19(13-16)15-21(23-20)18-9-11-24(12-10-18)22(25)14-17-5-3-2-4-6-17/h2-8,13,15,18,23H,9-12,14H2,1H3
InChIKeyKZENUGVOWWBBHY-UHFFFAOYSA-N
XLogP4.43
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088041
5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole
CID 113088100
(3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088033
1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113088197
2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088256
2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113087860
1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 71883526
1,3-benzodioxol-5-yl-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088055
(2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 139011392
(3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088040
1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 84579139
1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one
CID 113088645

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone (CID 113088043) is 1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone is Cc1ccc2[nH]c(C3CCN(C(=O)Cc4ccccc4)CC3)cc2c1.
What is the InChIKey of 1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is KZENUGVOWWBBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16-7-8-20-19(13-16)15-21(23-20)18-9-11-24(12-10-18)22(25)14-17-5-3-2-4-6-17/h2-8,13,15,18,23H,9-12,14H2,1H3.
What are the key properties of 1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone?
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 332.45 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 113088043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).