4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one

C24H28N2O3 — CID 134230320

IUPAC4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one
SMILESCOc1ccc(-c2[nH]c3ccc(C4CCNC(=O)C4)cc3c2C(C)C)cc1OC
InChIInChI=1S/C24H28N2O3/c1-14(2)23-18-11-15(16-9-10-25-22(27)13-16)5-7-19(18)26-24(23)17-6-8-20(28-3)21(12-17)29-4/h5-8,11-12,14,16,26H,9-10,13H2,1-4H3,(H,25,27)
InChIKeyUNXHRHIPNPRMQD-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.97
Rot. Bonds5

About 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one

4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one (PubChem CID 134230320) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one
PubChem CID134230320
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one
SMILESCOc1ccc(-c2[nH]c3ccc(C4CCNC(=O)C4)cc3c2C(C)C)cc1OC
InChIInChI=1S/C24H28N2O3/c1-14(2)23-18-11-15(16-9-10-25-22(27)13-16)5-7-19(18)26-24(23)17-6-8-20(28-3)21(12-17)29-4/h5-8,11-12,14,16,26H,9-10,13H2,1-4H3,(H,25,27)
InChIKeyUNXHRHIPNPRMQD-UHFFFAOYSA-N
XLogP4.97
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one (CID 134230320) is 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one is COc1ccc(-c2[nH]c3ccc(C4CCNC(=O)C4)cc3c2C(C)C)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one?
The InChIKey is UNXHRHIPNPRMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-14(2)23-18-11-15(16-9-10-25-22(27)13-16)5-7-19(18)26-24(23)17-6-8-20(28-3)21(12-17)29-4/h5-8,11-12,14,16,26H,9-10,13H2,1-4H3,(H,25,27).
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one?
4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one is sourced from PubChem (CID 134230320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).