tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate

C14H27N3O3 — CID 141077468

IUPACtert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate
SMILESCC(C)CNC(=O)C1CNCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O3/c1-10(2)8-16-12(18)11-9-15-6-7-17(11)13(19)20-14(3,4)5/h10-11,15H,6-9H2,1-5H3,(H,16,18)
InChIKeyCUENQKDSKUCKOV-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.97
Rot. Bonds3

About tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate

tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate (PubChem CID 141077468) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate
PubChem CID141077468
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate
SMILESCC(C)CNC(=O)C1CNCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O3/c1-10(2)8-16-12(18)11-9-15-6-7-17(11)13(19)20-14(3,4)5/h10-11,15H,6-9H2,1-5H3,(H,16,18)
InChIKeyCUENQKDSKUCKOV-UHFFFAOYSA-N
XLogP0.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(2-methylpropylcarbamoyl)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 2-(methoxycarbamoyl)piperazine-1-carboxylate
CID 86654626
azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 154966146
tert-butyl 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 22557197
tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354
tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate
CID 175607983
1-O-tert-butyl 2-O-methyl (2S)-1,4-diazepane-1,2-dicarboxylate
CID 86325147
1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate
CID 67976605
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carbonyl]benzoic acid
CID 141001092
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072229
tert-butyl 2-(2,2-difluoroethyl)piperazine-1-carboxylate
CID 84707228
tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 70050480
tert-butyl 2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 57153522

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate (CID 141077468) is tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate is CC(C)CNC(=O)C1CNCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is CUENQKDSKUCKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-10(2)8-16-12(18)11-9-15-6-7-17(11)13(19)20-14(3,4)5/h10-11,15H,6-9H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate?
tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 141077468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).