3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one

C21H32N4O2 — CID 119898947

IUPAC3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCC(C(=O)N1CCN(C(C)C(=O)N2CCCC2)CC1)C(N)c1ccccc1
InChIInChI=1S/C21H32N4O2/c1-16(19(22)18-8-4-3-5-9-18)20(26)25-14-12-23(13-15-25)17(2)21(27)24-10-6-7-11-24/h3-5,8-9,16-17,19H,6-7,10-15,22H2,1-2H3
InChIKeyWHTUGFOOWVTHNB-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.48
Rot. Bonds5

About 3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one

3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 119898947) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID119898947
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCC(C(=O)N1CCN(C(C)C(=O)N2CCCC2)CC1)C(N)c1ccccc1
InChIInChI=1S/C21H32N4O2/c1-16(19(22)18-8-4-3-5-9-18)20(26)25-14-12-23(13-15-25)17(2)21(27)24-10-6-7-11-24/h3-5,8-9,16-17,19H,6-7,10-15,22H2,1-2H3
InChIKeyWHTUGFOOWVTHNB-UHFFFAOYSA-N
XLogP1.48
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one (CID 119898947) is 3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one is CC(C(=O)N1CCN(C(C)C(=O)N2CCCC2)CC1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is WHTUGFOOWVTHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-16(19(22)18-8-4-3-5-9-18)20(26)25-14-12-23(13-15-25)17(2)21(27)24-10-6-7-11-24/h3-5,8-9,16-17,19H,6-7,10-15,22H2,1-2H3.
What are the key properties of 3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one?
3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 372.51 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119898947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).