2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide

C16H20N4O2 — CID 38940674

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
SMILESO=C1CN(c2ccc(NC(=O)C[C@H]3C=CCC3)cn2)CCN1
InChIInChI=1S/C16H20N4O2/c21-15(9-12-3-1-2-4-12)19-13-5-6-14(18-10-13)20-8-7-17-16(22)11-20/h1,3,5-6,10,12H,2,4,7-9,11H2,(H,17,22)(H,19,21)/t12-/m0/s1
InChIKeyJWLQILZVVNSJRP-LBPRGKRZSA-N
MW300.36 g/mol
LogP1.31
Rot. Bonds4

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide (PubChem CID 38940674) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
PubChem CID38940674
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
SMILESO=C1CN(c2ccc(NC(=O)C[C@H]3C=CCC3)cn2)CCN1
InChIInChI=1S/C16H20N4O2/c21-15(9-12-3-1-2-4-12)19-13-5-6-14(18-10-13)20-8-7-17-16(22)11-20/h1,3,5-6,10,12H,2,4,7-9,11H2,(H,17,22)(H,19,21)/t12-/m0/s1
InChIKeyJWLQILZVVNSJRP-LBPRGKRZSA-N
XLogP1.31
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide (CID 38940674) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide is O=C1CN(c2ccc(NC(=O)C[C@H]3C=CCC3)cn2)CCN1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
The InChIKey is JWLQILZVVNSJRP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15(9-12-3-1-2-4-12)19-13-5-6-14(18-10-13)20-8-7-17-16(22)11-20/h1,3,5-6,10,12H,2,4,7-9,11H2,(H,17,22)(H,19,21)/t12-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 38940674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).