2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide

C17H29N3O2 — CID 45214691

IUPAC2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CC1C(=O)NCCN1CC(C)(C)C
InChIInChI=1S/C17H29N3O2/c1-6-9-19(10-7-2)15(21)12-14-16(22)18-8-11-20(14)13-17(3,4)5/h6-7,14H,1-2,8-13H2,3-5H3,(H,18,22)
InChIKeyXQXRJDBSCORQKP-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.42
Rot. Bonds7

About 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 45214691) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID45214691
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CC1C(=O)NCCN1CC(C)(C)C
InChIInChI=1S/C17H29N3O2/c1-6-9-19(10-7-2)15(21)12-14-16(22)18-8-11-20(14)13-17(3,4)5/h6-7,14H,1-2,8-13H2,3-5H3,(H,18,22)
InChIKeyXQXRJDBSCORQKP-UHFFFAOYSA-N
XLogP1.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.42
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 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide (CID 45214691) is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CC1C(=O)NCCN1CC(C)(C)C.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is XQXRJDBSCORQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-6-9-19(10-7-2)15(21)12-14-16(22)18-8-11-20(14)13-17(3,4)5/h6-7,14H,1-2,8-13H2,3-5H3,(H,18,22).
What are the key properties of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 307.44 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 45214691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).