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

C21H30N4O — CID 68562480

IUPAC[3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3c(C4CCCN4C)c[nH]c3c2)CC1
InChIInChI=1S/C21H30N4O/c1-15(2)24-9-11-25(12-10-24)21(26)16-6-7-17-18(14-22-19(17)13-16)20-5-4-8-23(20)3/h6-7,13-15,20,22H,4-5,8-12H2,1-3H3
InChIKeyXERRYBWVEFBCJK-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.10
Rot. Bonds3

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

[3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 68562480) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is [3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID68562480
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name[3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3c(C4CCCN4C)c[nH]c3c2)CC1
InChIInChI=1S/C21H30N4O/c1-15(2)24-9-11-25(12-10-24)21(26)16-6-7-17-18(14-22-19(17)13-16)20-5-4-8-23(20)3/h6-7,13-15,20,22H,4-5,8-12H2,1-3H3
InChIKeyXERRYBWVEFBCJK-UHFFFAOYSA-N
XLogP3.10
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone
CID 68563854
[3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68564576
[3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68566145
[3-[(4-benzylpiperidin-1-yl)methyl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25059867
(4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone
CID 68564319
[3-[2-(2-methylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68566051
[2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68680973
[1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68563818
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920
(2,3-dimethyl-1H-indol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 138041779
[2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68681971

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 68562480) is [3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc3c(C4CCCN4C)c[nH]c3c2)CC1.
What is the InChIKey of [3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is XERRYBWVEFBCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-15(2)24-9-11-25(12-10-24)21(26)16-6-7-17-18(14-22-19(17)13-16)20-5-4-8-23(20)3/h6-7,13-15,20,22H,4-5,8-12H2,1-3H3.
What are the key properties of [3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 354.50 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 68562480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).