4-[(2S)-2-amino-3-(2-oxopyrrolidin-1-yl)propanoyl]-1-methyl-3-phenylpiperazin-2-one

C18H24N4O3 — CID 166319124

IUPAC4-[(2S)-2-amino-3-(2-oxopyrrolidin-1-yl)propanoyl]-1-methyl-3-phenylpiperazin-2-one
SMILESCN1CCN(C(=O)[C@@H](N)CN2CCCC2=O)C(c2ccccc2)C1=O
InChIInChI=1S/C18H24N4O3/c1-20-10-11-22(16(18(20)25)13-6-3-2-4-7-13)17(24)14(19)12-21-9-5-8-15(21)23/h2-4,6-7,14,16H,5,8-12,19H2,1H3/t14-,16?/m0/s1
InChIKeyVLPFCXUAXDDZOY-LBAUFKAWSA-N
MW344.41 g/mol
LogP-0.02
Rot. Bonds4

About 4-[(2S)-2-amino-3-(2-oxopyrrolidin-1-yl)propanoyl]-1-methyl-3-phenylpiperazin-2-one

4-[(2S)-2-amino-3-(2-oxopyrrolidin-1-yl)propanoyl]-1-methyl-3-phenylpiperazin-2-one (PubChem CID 166319124) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3-(2-oxopyrrolidin-1-yl)propanoyl]-1-methyl-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-amino-3-(2-oxopyrrolidin-1-yl)propanoyl]-1-methyl-3-phenylpiperazin-2-one
PubChem CID166319124
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name4-[(2S)-2-amino-3-(2-oxopyrrolidin-1-yl)propanoyl]-1-methyl-3-phenylpiperazin-2-one
SMILESCN1CCN(C(=O)[C@@H](N)CN2CCCC2=O)C(c2ccccc2)C1=O
InChIInChI=1S/C18H24N4O3/c1-20-10-11-22(16(18(20)25)13-6-3-2-4-7-13)17(24)14(19)12-21-9-5-8-15(21)23/h2-4,6-7,14,16H,5,8-12,19H2,1H3/t14-,16?/m0/s1
InChIKeyVLPFCXUAXDDZOY-LBAUFKAWSA-N
XLogP-0.02
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3-(2-oxopyrrolidin-1-yl)propanoyl]-1-methyl-3-phenylpiperazin-2-one?
The IUPAC name of 4-[(2S)-2-amino-3-(2-oxopyrrolidin-1-yl)propanoyl]-1-methyl-3-phenylpiperazin-2-one (CID 166319124) is 4-[(2S)-2-amino-3-(2-oxopyrrolidin-1-yl)propanoyl]-1-methyl-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-[(2S)-2-amino-3-(2-oxopyrrolidin-1-yl)propanoyl]-1-methyl-3-phenylpiperazin-2-one?
The canonical SMILES for 4-[(2S)-2-amino-3-(2-oxopyrrolidin-1-yl)propanoyl]-1-methyl-3-phenylpiperazin-2-one is CN1CCN(C(=O)[C@@H](N)CN2CCCC2=O)C(c2ccccc2)C1=O.
What is the InChIKey of 4-[(2S)-2-amino-3-(2-oxopyrrolidin-1-yl)propanoyl]-1-methyl-3-phenylpiperazin-2-one?
The InChIKey is VLPFCXUAXDDZOY-LBAUFKAWSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-20-10-11-22(16(18(20)25)13-6-3-2-4-7-13)17(24)14(19)12-21-9-5-8-15(21)23/h2-4,6-7,14,16H,5,8-12,19H2,1H3/t14-,16?/m0/s1.
What are the key properties of 4-[(2S)-2-amino-3-(2-oxopyrrolidin-1-yl)propanoyl]-1-methyl-3-phenylpiperazin-2-one?
4-[(2S)-2-amino-3-(2-oxopyrrolidin-1-yl)propanoyl]-1-methyl-3-phenylpiperazin-2-one has a molecular weight of 344.41 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3-(2-oxopyrrolidin-1-yl)propanoyl]-1-methyl-3-phenylpiperazin-2-one is sourced from PubChem (CID 166319124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).