[3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C25H36N4O — CID 68564576

IUPAC[3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3c(C4CCN(C5CCC5)CC4)c[nH]c3c2)CC1
InChIInChI=1S/C25H36N4O/c1-18(2)27-12-14-29(15-13-27)25(30)20-6-7-22-23(17-26-24(22)16-20)19-8-10-28(11-9-19)21-4-3-5-21/h6-7,16-19,21,26H,3-5,8-15H2,1-2H3
InChIKeyZDMLBSCSIJWDRP-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.07
Rot. Bonds4

About [3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 68564576) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is [3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID68564576
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC Name[3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3c(C4CCN(C5CCC5)CC4)c[nH]c3c2)CC1
InChIInChI=1S/C25H36N4O/c1-18(2)27-12-14-29(15-13-27)25(30)20-6-7-22-23(17-26-24(22)16-20)19-8-10-28(11-9-19)21-4-3-5-21/h6-7,16-19,21,26H,3-5,8-15H2,1-2H3
InChIKeyZDMLBSCSIJWDRP-UHFFFAOYSA-N
XLogP4.07
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone 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

(4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone
CID 68564319
(4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone
CID 68563854
[3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68562480
[3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68566145
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
(4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69067801
(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558891
[3-[(4-benzylpiperidin-1-yl)methyl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25059867
[1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68563818
[3-[2-(2-methylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68566051
(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962
[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone
CID 25062468

Frequently Asked Questions

What is the IUPAC name of [3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 68564576) is [3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc3c(C4CCN(C5CCC5)CC4)c[nH]c3c2)CC1.
What is the InChIKey of [3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZDMLBSCSIJWDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O/c1-18(2)27-12-14-29(15-13-27)25(30)20-6-7-22-23(17-26-24(22)16-20)19-8-10-28(11-9-19)21-4-3-5-21/h6-7,16-19,21,26H,3-5,8-15H2,1-2H3.
What are the key properties of [3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 408.59 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 68564576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).