piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride

C21H32Cl2N4O — CID 11568100

IUPACpiperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride
SMILESCC(C)N1CCC(Nc2ccc3[nH]c(C(=O)N4CCCCC4)cc3c2)C1.Cl.Cl
InChIInChI=1S/C21H30N4O.2ClH/c1-15(2)25-11-8-18(14-25)22-17-6-7-19-16(12-17)13-20(23-19)21(26)24-9-4-3-5-10-24;;/h6-7,12-13,15,18,22-23H,3-5,8-11,14H2,1-2H3;2*1H
InChIKeyPWDAMERRPMYFDK-UHFFFAOYSA-N
MW427.42 g/mol
LogP4.53
Rot. Bonds4

About piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride

piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride (PubChem CID 11568100) has the molecular formula C21H32Cl2N4O and a molecular weight of 427.42 g/mol. Its IUPAC name is piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride.

Molecular Properties

Compound Namepiperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride
PubChem CID11568100
Molecular FormulaC21H32Cl2N4O
Molecular Weight427.42 g/mol
Exact Mass426.20
IUPAC Namepiperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride
SMILESCC(C)N1CCC(Nc2ccc3[nH]c(C(=O)N4CCCCC4)cc3c2)C1.Cl.Cl
InChIInChI=1S/C21H30N4O.2ClH/c1-15(2)25-11-8-18(14-25)22-17-6-7-19-16(12-17)13-20(23-19)21(26)24-9-4-3-5-10-24;;/h6-7,12-13,15,18,22-23H,3-5,8-11,14H2,1-2H3;2*1H
InChIKeyPWDAMERRPMYFDK-UHFFFAOYSA-N
XLogP4.53
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone
CID 11538675
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69283170
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 26315953
azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69282604
[2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68681971
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
[2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68680973
[2-(4-methoxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68683427
1-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carbonyl]piperidine-4-carboxamide
CID 69283945
5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride
CID 141233880
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride?
The IUPAC name of piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride (CID 11568100) is piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride.
What is the SMILES notation for piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride?
The canonical SMILES for piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride is CC(C)N1CCC(Nc2ccc3[nH]c(C(=O)N4CCCCC4)cc3c2)C1.Cl.Cl.
What is the InChIKey of piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride?
The InChIKey is PWDAMERRPMYFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O.2ClH/c1-15(2)25-11-8-18(14-25)22-17-6-7-19-16(12-17)13-20(23-19)21(26)24-9-4-3-5-10-24;;/h6-7,12-13,15,18,22-23H,3-5,8-11,14H2,1-2H3;2*1H.
What are the key properties of piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride?
piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride has a molecular weight of 427.42 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride is sourced from PubChem (CID 11568100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).