N-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide

C16H29N3O — CID 118358856

IUPACN-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide
SMILESC=C(CN1CCN(C(=C)CC)CC1)NC(=O)C(C)(C)C
InChIInChI=1S/C16H29N3O/c1-7-14(3)19-10-8-18(9-11-19)12-13(2)17-15(20)16(4,5)6/h2-3,7-12H2,1,4-6H3,(H,17,20)
InChIKeyQYEYBGREVCXJGM-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.20
Rot. Bonds5

About N-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide

N-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide (PubChem CID 118358856) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide
PubChem CID118358856
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide
SMILESC=C(CN1CCN(C(=C)CC)CC1)NC(=O)C(C)(C)C
InChIInChI=1S/C16H29N3O/c1-7-14(3)19-10-8-18(9-11-19)12-13(2)17-15(20)16(4,5)6/h2-3,7-12H2,1,4-6H3,(H,17,20)
InChIKeyQYEYBGREVCXJGM-UHFFFAOYSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide (CID 118358856) is N-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide is C=C(CN1CCN(C(=C)CC)CC1)NC(=O)C(C)(C)C.
What is the InChIKey of N-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide?
The InChIKey is QYEYBGREVCXJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-7-14(3)19-10-8-18(9-11-19)12-13(2)17-15(20)16(4,5)6/h2-3,7-12H2,1,4-6H3,(H,17,20).
What are the key properties of N-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide?
N-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide has a molecular weight of 279.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118358856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).