[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

C24H36N4O2 — CID 168931025

IUPAC[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCOc1ccc2c(CCN(C)C)cn(C(=O)N3CCC(N4CCCCC4)CC3)c2c1
InChIInChI=1S/C24H36N4O2/c1-25(2)14-9-19-18-28(23-17-21(30-3)7-8-22(19)23)24(29)27-15-10-20(11-16-27)26-12-5-4-6-13-26/h7-8,17-18,20H,4-6,9-16H2,1-3H3
InChIKeyHXBVFBDNPZROFT-UHFFFAOYSA-N
MW412.58 g/mol
LogP3.67
Rot. Bonds5

About [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 168931025) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID168931025
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCOc1ccc2c(CCN(C)C)cn(C(=O)N3CCC(N4CCCCC4)CC3)c2c1
InChIInChI=1S/C24H36N4O2/c1-25(2)14-9-19-18-28(23-17-21(30-3)7-8-22(19)23)24(29)27-15-10-20(11-16-27)26-12-5-4-6-13-26/h7-8,17-18,20H,4-6,9-16H2,1-3H3
InChIKeyHXBVFBDNPZROFT-UHFFFAOYSA-N
XLogP3.67
TPSA40.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 166467266
N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide
CID 168931076
2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931038
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
CID 166467355
thietane-3-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931136
methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930845
4-[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 168930906
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931011
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone;formic acid
CID 175913972
3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide
CID 168930901
oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930953
thian-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930954

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 168931025) is [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is COc1ccc2c(CCN(C)C)cn(C(=O)N3CCC(N4CCCCC4)CC3)c2c1.
What is the InChIKey of [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is HXBVFBDNPZROFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-25(2)14-9-19-18-28(23-17-21(30-3)7-8-22(19)23)24(29)27-15-10-20(11-16-27)26-12-5-4-6-13-26/h7-8,17-18,20H,4-6,9-16H2,1-3H3.
What are the key properties of [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 412.58 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 168931025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).