tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate

C15H28N2O4 — CID 102205627

IUPACtert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate
SMILESCOC(=O)C(C(C)C)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-11(2)12(13(18)20-6)16-7-9-17(10-8-16)14(19)21-15(3,4)5/h11-12H,7-10H2,1-6H3
InChIKeyBWWHIOZRVDMPGQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.74
Rot. Bonds3

About tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate

tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate (PubChem CID 102205627) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate
PubChem CID102205627
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate
SMILESCOC(=O)C(C(C)C)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-11(2)12(13(18)20-6)16-7-9-17(10-8-16)14(19)21-15(3,4)5/h11-12H,7-10H2,1-6H3
InChIKeyBWWHIOZRVDMPGQ-UHFFFAOYSA-N
XLogP1.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate
CID 44549256
tert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate
CID 71823809
tert-butyl 4-(1-fluoroethyl)piperazine-1-carboxylate
CID 53421985
tert-butyl 4-[(2S)-3-methoxy-2-methyl-3-oxopropyl]piperazine-1-carboxylate
CID 25418682
tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate
CID 129370784
tert-butyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583758
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583757
tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate
CID 28505550
tert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate
CID 172803875
tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate
CID 70034747
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]oxypiperidine-1-carboxylate
CID 146599014
tert-butyl 4-(1,3-dichloropropan-2-yl)piperazine-1-carboxylate
CID 155146596

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate (CID 102205627) is tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate is COC(=O)C(C(C)C)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate?
The InChIKey is BWWHIOZRVDMPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(2)12(13(18)20-6)16-7-9-17(10-8-16)14(19)21-15(3,4)5/h11-12H,7-10H2,1-6H3.
What are the key properties of tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 102205627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).