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

C23H34N4O — CID 166467266

IUPAC[3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCN(C)CCc1cn(C(=O)N2CCC(N3CCCCC3)CC2)c2ccccc12
InChIInChI=1S/C23H34N4O/c1-24(2)15-10-19-18-27(22-9-5-4-8-21(19)22)23(28)26-16-11-20(12-17-26)25-13-6-3-7-14-25/h4-5,8-9,18,20H,3,6-7,10-17H2,1-2H3
InChIKeyPXUCHKRTLWVKJA-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.66
Rot. Bonds4

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

[3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 166467266) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID166467266
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name[3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCN(C)CCc1cn(C(=O)N2CCC(N3CCCCC3)CC2)c2ccccc12
InChIInChI=1S/C23H34N4O/c1-24(2)15-10-19-18-27(22-9-5-4-8-21(19)22)23(28)26-16-11-20(12-17-26)25-13-6-3-7-14-25/h4-5,8-9,18,20H,3,6-7,10-17H2,1-2H3
InChIKeyPXUCHKRTLWVKJA-UHFFFAOYSA-N
XLogP3.66
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 166467266) is [3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is CN(C)CCc1cn(C(=O)N2CCC(N3CCCCC3)CC2)c2ccccc12.
What is the InChIKey of [3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is PXUCHKRTLWVKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-24(2)15-10-19-18-27(22-9-5-4-8-21(19)22)23(28)26-16-11-20(12-17-26)25-13-6-3-7-14-25/h4-5,8-9,18,20H,3,6-7,10-17H2,1-2H3.
What are the key properties of [3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 382.55 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 166467266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).