3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

C18H26N4O3 — CID 120989773

IUPAC3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESCOCC(N)C(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C18H26N4O3/c1-25-13-15(19)17(23)21-11-9-20(10-12-21)16-7-8-22(18(16)24)14-5-3-2-4-6-14/h2-6,15-16H,7-13,19H2,1H3
InChIKeySRNKCHXIASVUEK-UHFFFAOYSA-N
MW346.43 g/mol
LogP-0.09
Rot. Bonds5

About 3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one (PubChem CID 120989773) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
PubChem CID120989773
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESCOCC(N)C(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C18H26N4O3/c1-25-13-15(19)17(23)21-11-9-20(10-12-21)16-7-8-22(18(16)24)14-5-3-2-4-6-14/h2-6,15-16H,7-13,19H2,1H3
InChIKeySRNKCHXIASVUEK-UHFFFAOYSA-N
XLogP-0.09
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one (CID 120989773) is 3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one is COCC(N)C(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1.
What is the InChIKey of 3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is SRNKCHXIASVUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-25-13-15(19)17(23)21-11-9-20(10-12-21)16-7-8-22(18(16)24)14-5-3-2-4-6-14/h2-6,15-16H,7-13,19H2,1H3.
What are the key properties of 3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 346.43 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 120989773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).