4-[2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]acetyl]-1-methyl-3-phenylpiperazin-2-one

C18H23N3O2 — CID 166301940

IUPAC4-[2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]acetyl]-1-methyl-3-phenylpiperazin-2-one
SMILESCN1CCN(C(=O)C[C@H]2C=C[C@@H](N)C2)C(c2ccccc2)C1=O
InChIInChI=1S/C18H23N3O2/c1-20-9-10-21(16(22)12-13-7-8-15(19)11-13)17(18(20)23)14-5-3-2-4-6-14/h2-8,13,15,17H,9-12,19H2,1H3/t13-,15+,17?/m0/s1
InChIKeyAXQPGNQWFXQYLH-GZJFXKPMSA-N
MW313.40 g/mol
LogP1.32
Rot. Bonds3

About 4-[2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]acetyl]-1-methyl-3-phenylpiperazin-2-one

4-[2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]acetyl]-1-methyl-3-phenylpiperazin-2-one (PubChem CID 166301940) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]acetyl]-1-methyl-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]acetyl]-1-methyl-3-phenylpiperazin-2-one
PubChem CID166301940
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]acetyl]-1-methyl-3-phenylpiperazin-2-one
SMILESCN1CCN(C(=O)C[C@H]2C=C[C@@H](N)C2)C(c2ccccc2)C1=O
InChIInChI=1S/C18H23N3O2/c1-20-9-10-21(16(22)12-13-7-8-15(19)11-13)17(18(20)23)14-5-3-2-4-6-14/h2-8,13,15,17H,9-12,19H2,1H3/t13-,15+,17?/m0/s1
InChIKeyAXQPGNQWFXQYLH-GZJFXKPMSA-N
XLogP1.32
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]acetyl]-1-methyl-3-phenylpiperazin-2-one?
The IUPAC name of 4-[2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]acetyl]-1-methyl-3-phenylpiperazin-2-one (CID 166301940) is 4-[2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]acetyl]-1-methyl-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-[2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]acetyl]-1-methyl-3-phenylpiperazin-2-one?
The canonical SMILES for 4-[2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]acetyl]-1-methyl-3-phenylpiperazin-2-one is CN1CCN(C(=O)C[C@H]2C=C[C@@H](N)C2)C(c2ccccc2)C1=O.
What is the InChIKey of 4-[2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]acetyl]-1-methyl-3-phenylpiperazin-2-one?
The InChIKey is AXQPGNQWFXQYLH-GZJFXKPMSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20-9-10-21(16(22)12-13-7-8-15(19)11-13)17(18(20)23)14-5-3-2-4-6-14/h2-8,13,15,17H,9-12,19H2,1H3/t13-,15+,17?/m0/s1.
What are the key properties of 4-[2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]acetyl]-1-methyl-3-phenylpiperazin-2-one?
4-[2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]acetyl]-1-methyl-3-phenylpiperazin-2-one has a molecular weight of 313.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]acetyl]-1-methyl-3-phenylpiperazin-2-one is sourced from PubChem (CID 166301940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).