4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide

C19H29N3O — CID 59811465

IUPAC4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide
SMILESCC(C)(C)/C=C/c1ccc(C(=O)NCCN2CCNCC2)cc1
InChIInChI=1S/C19H29N3O/c1-19(2,3)9-8-16-4-6-17(7-5-16)18(23)21-12-15-22-13-10-20-11-14-22/h4-9,20H,10-15H2,1-3H3,(H,21,23)/b9-8+
InChIKeyMQGJJGSWHZWTKE-CMDGGOBGSA-N
MW315.46 g/mol
LogP2.38
Rot. Bonds5

About 4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide

4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 59811465) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID59811465
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide
SMILESCC(C)(C)/C=C/c1ccc(C(=O)NCCN2CCNCC2)cc1
InChIInChI=1S/C19H29N3O/c1-19(2,3)9-8-16-4-6-17(7-5-16)18(23)21-12-15-22-13-10-20-11-14-22/h4-9,20H,10-15H2,1-3H3,(H,21,23)/b9-8+
InChIKeyMQGJJGSWHZWTKE-CMDGGOBGSA-N
XLogP2.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3-dimethylbut-1-enyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 72568757
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 90338095
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
(E)-3-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600198
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273
4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447831
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
(E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600248
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119448151

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide (CID 59811465) is 4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide is CC(C)(C)/C=C/c1ccc(C(=O)NCCN2CCNCC2)cc1.
What is the InChIKey of 4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is MQGJJGSWHZWTKE-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H29N3O/c1-19(2,3)9-8-16-4-6-17(7-5-16)18(23)21-12-15-22-13-10-20-11-14-22/h4-9,20H,10-15H2,1-3H3,(H,21,23)/b9-8+.
What are the key properties of 4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide?
4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 315.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 59811465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).