N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide

C15H29N3O — CID 123993232

IUPACN-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide
SMILESCC(C)N1CCN(CC=CC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O/c1-13(2)18-11-9-17(10-12-18)8-6-7-14(19)16-15(3,4)5/h6-7,13H,8-12H2,1-5H3,(H,16,19)
InChIKeyLBKDUGWQOHMDDR-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.48
Rot. Bonds4

About N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide

N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide (PubChem CID 123993232) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide.

Molecular Properties

Compound NameN-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide
PubChem CID123993232
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide
SMILESCC(C)N1CCN(CC=CC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O/c1-13(2)18-11-9-17(10-12-18)8-6-7-14(19)16-15(3,4)5/h6-7,13H,8-12H2,1-5H3,(H,16,19)
InChIKeyLBKDUGWQOHMDDR-UHFFFAOYSA-N
XLogP1.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide
CID 145196932
(E)-N-tert-butyl-5,5-dimethylhex-2-enamide
CID 58901417
2-(4-but-2-enylpiperazin-1-yl)propanoic acid
CID 76939170
ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 170709333
(E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide
CID 177013069
N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide
CID 155453359
(E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide
CID 170331875
N-tert-butyl-3-propan-2-ylimidazolidine-1-carboxamide
CID 146427463
(E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide
CID 163845991
(E)-5-methyl-1-pyrrolidin-1-ylhept-2-en-4-one
CID 146188205
2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 59855855
(E)-4-(4-ethylpiperazin-1-yl)but-2-enoic acid;hydrochloride
CID 138617521

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide?
The IUPAC name of N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide (CID 123993232) is N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide.
What is the SMILES notation for N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide?
The canonical SMILES for N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide is CC(C)N1CCN(CC=CC(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide?
The InChIKey is LBKDUGWQOHMDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)18-11-9-17(10-12-18)8-6-7-14(19)16-15(3,4)5/h6-7,13H,8-12H2,1-5H3,(H,16,19).
What are the key properties of N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide?
N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide has a molecular weight of 267.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide is sourced from PubChem (CID 123993232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).