2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide

C13H23N3O3 — CID 110282688

IUPAC2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CC1NCCN(CC2CC2)C1=O
InChIInChI=1S/C13H23N3O3/c1-19-7-5-15-12(17)8-11-13(18)16(6-4-14-11)9-10-2-3-10/h10-11,14H,2-9H2,1H3,(H,15,17)
InChIKeyWSJBYAKNYNBLFR-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.65
Rot. Bonds7

About 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide

2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 110282688) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
PubChem CID110282688
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CC1NCCN(CC2CC2)C1=O
InChIInChI=1S/C13H23N3O3/c1-19-7-5-15-12(17)8-11-13(18)16(6-4-14-11)9-10-2-3-10/h10-11,14H,2-9H2,1H3,(H,15,17)
InChIKeyWSJBYAKNYNBLFR-UHFFFAOYSA-N
XLogP-0.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
CID 110283466
N-(2-methoxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide
CID 110282494
N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride
CID 110282990
2-[4-[(3-bromophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide;hydrochloride
CID 110283661
2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride
CID 110283561
2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110282985
N-(2-methoxyethyl)-2-(3-methyl-2-oxopiperazin-1-yl)acetamide
CID 63600201
1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282635
1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110282647
N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide
CID 110282877
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 110283411
N-cyclopropyl-2-(4-ethyl-3-oxopiperazin-2-yl)acetamide
CID 110282604

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide (CID 110282688) is 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CC1NCCN(CC2CC2)C1=O.
What is the InChIKey of 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is WSJBYAKNYNBLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-19-7-5-15-12(17)8-11-13(18)16(6-4-14-11)9-10-2-3-10/h10-11,14H,2-9H2,1H3,(H,15,17).
What are the key properties of 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 269.34 g/mol, XLogP of -0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 110282688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).