4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride

C17H25Cl2N3O — CID 21394682

IUPAC4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride
SMILESCl.Cl.NC1CCN(CCCC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H23N3O.2ClH/c18-13-7-10-20(11-8-13)9-3-6-17(21)15-12-19-16-5-2-1-4-14(15)16;;/h1-2,4-5,12-13,19H,3,6-11,18H2;2*1H
InChIKeyFOSZOPWUKWSRRD-UHFFFAOYSA-N
MW358.31 g/mol
LogP3.40
Rot. Bonds5

About 4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride

4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride (PubChem CID 21394682) has the molecular formula C17H25Cl2N3O and a molecular weight of 358.31 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride
PubChem CID21394682
Molecular FormulaC17H25Cl2N3O
Molecular Weight358.31 g/mol
Exact Mass357.14
IUPAC Name4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride
SMILESCl.Cl.NC1CCN(CCCC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H23N3O.2ClH/c18-13-7-10-20(11-8-13)9-3-6-17(21)15-12-19-16-5-2-1-4-14(15)16;;/h1-2,4-5,12-13,19H,3,6-11,18H2;2*1H
InChIKeyFOSZOPWUKWSRRD-UHFFFAOYSA-N
XLogP3.40
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 115648322
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 43226754
N-(4-aminocyclohexyl)-1H-indole-3-carboxamide
CID 62321120
[1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate
CID 138403145
1-(5-ethynyl-1H-indol-3-yl)-4-(4-methylpiperazin-1-yl)butan-1-one
CID 145151314
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane
CID 90983574
2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride
CID 174341226
4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64695940
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride?
The IUPAC name of 4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride (CID 21394682) is 4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride is Cl.Cl.NC1CCN(CCCC(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride?
The InChIKey is FOSZOPWUKWSRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.2ClH/c18-13-7-10-20(11-8-13)9-3-6-17(21)15-12-19-16-5-2-1-4-14(15)16;;/h1-2,4-5,12-13,19H,3,6-11,18H2;2*1H.
What are the key properties of 4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride?
4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride has a molecular weight of 358.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride is sourced from PubChem (CID 21394682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).