1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide

C29H37N3O4 — CID 150790938

IUPAC1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)N3CCCC(C(=O)N(CC)CC)C3)cc12
InChIInChI=1S/C29H37N3O4/c1-6-22-23-16-20(28(33)32-15-9-10-21(18-32)29(34)31(7-2)8-3)11-13-24(23)30-27(22)19-12-14-25(35-4)26(17-19)36-5/h11-14,16-17,21,30H,6-10,15,18H2,1-5H3
InChIKeyKDVKIDFELYTHQT-UHFFFAOYSA-N
MW491.63 g/mol
LogP5.14
Rot. Bonds8

About 1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide

1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 150790938) has the molecular formula C29H37N3O4 and a molecular weight of 491.63 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID150790938
Molecular FormulaC29H37N3O4
Molecular Weight491.63 g/mol
Exact Mass491.28
IUPAC Name1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)N3CCCC(C(=O)N(CC)CC)C3)cc12
InChIInChI=1S/C29H37N3O4/c1-6-22-23-16-20(28(33)32-15-9-10-21(18-32)29(34)31(7-2)8-3)11-13-24(23)30-27(22)19-12-14-25(35-4)26(17-19)36-5/h11-14,16-17,21,30H,6-10,15,18H2,1-5H3
InChIKeyKDVKIDFELYTHQT-UHFFFAOYSA-N
XLogP5.14
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.63
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one
CID 155210878
[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 155210876
N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide
CID 150682988
1-[2-[4-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]piperidin-1-yl]prop-2-enyl]-N,N-diethylpiperidine-3-carboxamide
CID 134241038
1-[2-[4-[2-(3,4-dimethoxyphenyl)-3-(oxan-4-yl)-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N,N-diethylpiperidine-3-carboxamide
CID 134230330
N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide
CID 119067015
[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 134231041
(1-tert-butylpyrrolidin-2-yl)-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]methanone
CID 175045698
1-(3-ethoxy-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 45429428
2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine
CID 155226591
(3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 52524664
2-[[2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]amino]acetonitrile
CID 134231138

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide (CID 150790938) is 1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide is CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)N3CCCC(C(=O)N(CC)CC)C3)cc12.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is KDVKIDFELYTHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O4/c1-6-22-23-16-20(28(33)32-15-9-10-21(18-32)29(34)31(7-2)8-3)11-13-24(23)30-27(22)19-12-14-25(35-4)26(17-19)36-5/h11-14,16-17,21,30H,6-10,15,18H2,1-5H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide?
1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 491.63 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 150790938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).