2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride

C19H30Cl2N4O2 — CID 120596462

IUPAC2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCC(N)(C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H28N4O2.2ClH/c1-19(20,16-7-3-2-4-8-16)18(25)23-13-11-22(12-14-23)17(24)15-21-9-5-6-10-21;;/h2-4,7-8H,5-6,9-15,20H2,1H3;2*1H
InChIKeyGOHGCXORIFKOBY-UHFFFAOYSA-N
MW417.38 g/mol
LogP1.47
Rot. Bonds4

About 2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride

2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 120596462) has the molecular formula C19H30Cl2N4O2 and a molecular weight of 417.38 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID120596462
Molecular FormulaC19H30Cl2N4O2
Molecular Weight417.38 g/mol
Exact Mass416.17
IUPAC Name2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCC(N)(C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H28N4O2.2ClH/c1-19(20,16-7-3-2-4-8-16)18(25)23-13-11-22(12-14-23)17(24)15-21-9-5-6-10-21;;/h2-4,7-8H,5-6,9-15,20H2,1H3;2*1H
InChIKeyGOHGCXORIFKOBY-UHFFFAOYSA-N
XLogP1.47
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride
CID 120594918
2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120594799
2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120588428
2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589011
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523
2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 120594763
2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one
CID 120595139
2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120596642
2-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120588148
2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120595365
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 120596462) is 2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride is CC(N)(C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is GOHGCXORIFKOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.2ClH/c1-19(20,16-7-3-2-4-8-16)18(25)23-13-11-22(12-14-23)17(24)15-21-9-5-6-10-21;;/h2-4,7-8H,5-6,9-15,20H2,1H3;2*1H.
What are the key properties of 2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride?
2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 417.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 120596462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).