tert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate

C14H24N2O3 — CID 59137733

IUPACtert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate
SMILESC=CC(=O)N1CC(C)N(C(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C14H24N2O3/c1-7-12(17)15-8-11(3)16(9-10(15)2)13(18)19-14(4,5)6/h7,10-11H,1,8-9H2,2-6H3
InChIKeyWILYBSMLDUKOND-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.03
Rot. Bonds1

About tert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate

tert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate (PubChem CID 59137733) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate
PubChem CID59137733
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate
SMILESC=CC(=O)N1CC(C)N(C(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C14H24N2O3/c1-7-12(17)15-8-11(3)16(9-10(15)2)13(18)19-14(4,5)6/h7,10-11H,1,8-9H2,2-6H3
InChIKeyWILYBSMLDUKOND-UHFFFAOYSA-N
XLogP2.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl 4-acryloylpiperazine-1-carboxylate
CID 58593060
tert-butyl (3S)-3-(cyanomethyl)-4-(2-fluoroprop-2-enoyl)piperazine-1-carboxylate
CID 178315570
1-[(3S)-3,4-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 155332143
Tert-butyl 2-methyl-3-oxo-4-(prop-2-en-1-yl)piperazine-1-carboxylate
CID 155820721
AG-H-08867
CID 11276205
tert-butyl (3R)-4-(2-fluoroprop-2-enoyl)-3-(trifluoromethyl)piperazine-1-carboxylate
CID 172367911
Piperazine, 2-methyl-1,4-bis(1-oxo-2-propenyl)-
CID 167078
tert-butyl 3-[N-(2,2,2-trifluoroethyl)prop-2-enamido]piperidine-1-carboxylate
CID 146094323
Ethyl 4-acryloylpiperazine-1-carboxylate
CID 23034696
1-(2-Propenyl)-4-tert-butyloxycarbonyl-2-piperazinone
CID 54452384
4-Acetyl-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
CID 57431960
(3S,5R)-4-acetyl-3,5-dimethyl-piperazine-1-carboxylic acid tert-butyl ester
CID 57526729

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate (CID 59137733) is tert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate is C=CC(=O)N1CC(C)N(C(=O)OC(C)(C)C)CC1C.
What is the InChIKey of tert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate?
The InChIKey is WILYBSMLDUKOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-7-12(17)15-8-11(3)16(9-10(15)2)13(18)19-14(4,5)6/h7,10-11H,1,8-9H2,2-6H3.
What are the key properties of tert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate?
tert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate is sourced from PubChem (CID 59137733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).