2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate

C22H32N2O4 — CID 156634349

IUPAC2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate
SMILESCC(C)Oc1cc(OC(C)C)c2cc(C(=O)OCCN3CCCCC3)[nH]c2c1
InChIInChI=1S/C22H32N2O4/c1-15(2)27-17-12-19-18(21(13-17)28-16(3)4)14-20(23-19)22(25)26-11-10-24-8-6-5-7-9-24/h12-16,23H,5-11H2,1-4H3
InChIKeyRSUCHFDXJPSAFF-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.39
Rot. Bonds8

About 2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate

2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate (PubChem CID 156634349) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate
PubChem CID156634349
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate
SMILESCC(C)Oc1cc(OC(C)C)c2cc(C(=O)OCCN3CCCCC3)[nH]c2c1
InChIInChI=1S/C22H32N2O4/c1-15(2)27-17-12-19-18(21(13-17)28-16(3)4)14-20(23-19)22(25)26-11-10-24-8-6-5-7-9-24/h12-16,23H,5-11H2,1-4H3
InChIKeyRSUCHFDXJPSAFF-UHFFFAOYSA-N
XLogP4.39
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634225
2-morpholin-4-ylethyl 4-cyclohexyloxy-6-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634424
2-morpholin-4-ylethyl 6-cyclohexyloxy-4-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634217
2-morpholin-4-ylethyl 6-piperidin-1-yl-4-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634200
2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634339
N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide
CID 70213565
methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634395
7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide
CID 160589757
6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine
CID 175135260
2-piperidin-1-ylethyl N-(3-propan-2-yloxyphenyl)carbamate
CID 23275932
2-piperidin-1-ylethyl 2,4-dimethoxybenzoate
CID 838965
1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone
CID 67916212

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate?
The IUPAC name of 2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate (CID 156634349) is 2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate.
What is the SMILES notation for 2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate?
The canonical SMILES for 2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate is CC(C)Oc1cc(OC(C)C)c2cc(C(=O)OCCN3CCCCC3)[nH]c2c1.
What is the InChIKey of 2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate?
The InChIKey is RSUCHFDXJPSAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-15(2)27-17-12-19-18(21(13-17)28-16(3)4)14-20(23-19)22(25)26-11-10-24-8-6-5-7-9-24/h12-16,23H,5-11H2,1-4H3.
What are the key properties of 2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate?
2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate has a molecular weight of 388.51 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 156634349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).