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

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

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Related Compounds

1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one
CID 118358850
ethyl 4-(2-hydrazinyl-2-oxoethyl)piperazine-1-carboxylate
CID 107877747
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate
CID 107877646
tert-butyl 2-[4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-prop-1-en-2-yl-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 59865517
ethyl 4-[2-(bromomethyl)-3,3-dimethylbutyl]piperazine-1-carboxylate
CID 107877601
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 60711965
ethyl 4-[6-(2,2-dimethylpropanoylamino)pyridazin-3-yl]piperazine-1-carboxylate
CID 113043573
3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one
CID 110709718
N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 51171979
N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide
CID 86275152

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).