2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride

C17H27Cl2N3O — CID 119892520

IUPAC2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.NC(C(=O)N1CCC(CN2CCCC2)C1)c1ccccc1
InChIInChI=1S/C17H25N3O.2ClH/c18-16(15-6-2-1-3-7-15)17(21)20-11-8-14(13-20)12-19-9-4-5-10-19;;/h1-3,6-7,14,16H,4-5,8-13,18H2;2*1H
InChIKeyIEEYRIXKVMPARK-UHFFFAOYSA-N
MW360.33 g/mol
LogP2.47
Rot. Bonds4

About 2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride

2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride (PubChem CID 119892520) has the molecular formula C17H27Cl2N3O and a molecular weight of 360.33 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
PubChem CID119892520
Molecular FormulaC17H27Cl2N3O
Molecular Weight360.33 g/mol
Exact Mass359.15
IUPAC Name2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.NC(C(=O)N1CCC(CN2CCCC2)C1)c1ccccc1
InChIInChI=1S/C17H25N3O.2ClH/c18-16(15-6-2-1-3-7-15)17(21)20-11-8-14(13-20)12-19-9-4-5-10-19;;/h1-3,6-7,14,16H,4-5,8-13,18H2;2*1H
InChIKeyIEEYRIXKVMPARK-UHFFFAOYSA-N
XLogP2.47
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 120670473
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CID 119290269
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(2R)-2-amino-2-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
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2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone
CID 119337376
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796550
(2R)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796537
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-amino-2-phenylethanone
CID 61156147
2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119843387
(2S)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-amino-2-phenylethanone
CID 104897194
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride (CID 119892520) is 2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride is Cl.Cl.NC(C(=O)N1CCC(CN2CCCC2)C1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride?
The InChIKey is IEEYRIXKVMPARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.2ClH/c18-16(15-6-2-1-3-7-15)17(21)20-11-8-14(13-20)12-19-9-4-5-10-19;;/h1-3,6-7,14,16H,4-5,8-13,18H2;2*1H.
What are the key properties of 2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride?
2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride has a molecular weight of 360.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119892520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).