3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one

C24H27N3O2 — CID 142594476

IUPAC3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one
SMILESCC(C)c1c(-c2ccc3c(c2)oc(=O)n3C)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C24H27N3O2/c1-14(2)22-18-12-16(15-8-10-25-11-9-15)4-6-19(18)26-23(22)17-5-7-20-21(13-17)29-24(28)27(20)3/h4-7,12-15,25-26H,8-11H2,1-3H3
InChIKeyXQIDQLGEQAAHQU-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.87
Rot. Bonds3

About 3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one

3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one (PubChem CID 142594476) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one
PubChem CID142594476
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one
SMILESCC(C)c1c(-c2ccc3c(c2)oc(=O)n3C)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C24H27N3O2/c1-14(2)22-18-12-16(15-8-10-25-11-9-15)4-6-19(18)26-23(22)17-5-7-20-21(13-17)29-24(28)27(20)3/h4-7,12-15,25-26H,8-11H2,1-3H3
InChIKeyXQIDQLGEQAAHQU-UHFFFAOYSA-N
XLogP4.87
TPSA62.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole
CID 142593838
1-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-prop-1-en-2-ylpyridin-2-one
CID 137464469
2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one
CID 137464299
1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one
CID 137464689
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3,7-dimethyl-1,3-benzoxazol-2-one
CID 142593753
2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole
CID 134230324
6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 142594847
5-methyl-7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridine
CID 142594108
4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 142594151
4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one
CID 134230320
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole
CID 151132839
5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole
CID 134330320

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one (CID 142594476) is 3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one is CC(C)c1c(-c2ccc3c(c2)oc(=O)n3C)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of 3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one?
The InChIKey is XQIDQLGEQAAHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-14(2)22-18-12-16(15-8-10-25-11-9-15)4-6-19(18)26-23(22)17-5-7-20-21(13-17)29-24(28)27(20)3/h4-7,12-15,25-26H,8-11H2,1-3H3.
What are the key properties of 3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one?
3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one has a molecular weight of 389.50 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 142594476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).