N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride

C17H25Cl2N3O — CID 119865623

IUPACN-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCCCn1ccc2cc(NC(=O)CC3CCCN3)ccc21.Cl.Cl
InChIInChI=1S/C17H23N3O.2ClH/c1-2-9-20-10-7-13-11-15(5-6-16(13)20)19-17(21)12-14-4-3-8-18-14;;/h5-7,10-11,14,18H,2-4,8-9,12H2,1H3,(H,19,21);2*1H
InChIKeyUMZZBYMMBZFOPB-UHFFFAOYSA-N
MW358.31 g/mol
LogP3.98
Rot. Bonds5

About N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119865623) has the molecular formula C17H25Cl2N3O and a molecular weight of 358.31 g/mol. Its IUPAC name is N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119865623
Molecular FormulaC17H25Cl2N3O
Molecular Weight358.31 g/mol
Exact Mass357.14
IUPAC NameN-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCCCn1ccc2cc(NC(=O)CC3CCCN3)ccc21.Cl.Cl
InChIInChI=1S/C17H23N3O.2ClH/c1-2-9-20-10-7-13-11-15(5-6-16(13)20)19-17(21)12-14-4-3-8-18-14;;/h5-7,10-11,14,18H,2-4,8-9,12H2,1H3,(H,19,21);2*1H
InChIKeyUMZZBYMMBZFOPB-UHFFFAOYSA-N
XLogP3.98
TPSA46.06 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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide
CID 119941631
N-(1-propylindol-5-yl)pyrrolidine-2-carboxamide
CID 119865612
2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide
CID 71934971
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865627
N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119683903
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea
CID 110936399
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711145

Frequently Asked Questions

What is the IUPAC name of N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119865623) is N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride is CCCn1ccc2cc(NC(=O)CC3CCCN3)ccc21.Cl.Cl.
What is the InChIKey of N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is UMZZBYMMBZFOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.2ClH/c1-2-9-20-10-7-13-11-15(5-6-16(13)20)19-17(21)12-14-4-3-8-18-14;;/h5-7,10-11,14,18H,2-4,8-9,12H2,1H3,(H,19,21);2*1H.
What are the key properties of N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 358.31 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119865623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).