tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate

C15H29N3O4 — CID 139034686

IUPACtert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)NCC1CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C15H29N3O4/c1-14(2,3)21-12(19)17-9-11-10-18(8-7-16-11)13(20)22-15(4,5)6/h11,16H,7-10H2,1-6H3,(H,17,19)
InChIKeyCLEYUZYSMOVCMJ-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.72
Rot. Bonds2

About tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate

tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate (PubChem CID 139034686) has the molecular formula C15H29N3O4 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate
PubChem CID139034686
Molecular FormulaC15H29N3O4
Molecular Weight315.41 g/mol
Exact Mass315.22
IUPAC Nametert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)NCC1CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C15H29N3O4/c1-14(2,3)21-12(19)17-9-11-10-18(8-7-16-11)13(20)22-15(4,5)6/h11,16H,7-10H2,1-6H3,(H,17,19)
InChIKeyCLEYUZYSMOVCMJ-UHFFFAOYSA-N
XLogP1.72
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]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 3-(2-hydroxyethyl)piperazine-1-carboxylate
CID 53407692
tert-butyl 3-(2-methylprop-2-enyl)piperazine-1-carboxylate
CID 176939396
tert-butyl (3S)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
CID 45072245
tert-butyl (3R)-3-(cyanomethyl)piperazine-1-carboxylate
CID 96603936
4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]butanoic acid
CID 82667418
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride
CID 24820292
tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate
CID 82386141
tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium
CID 161247983
tert-butyl 3-tert-butylpiperazine-1-carboxylate;hydrochloride
CID 57355298
4-bromo-3-chloro-2-[[(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]methylamino]benzoic acid
CID 155684227
tert-butyl (3S)-3-methylpiperazine-1-carboxylate;N,N-diethylethanamine
CID 159911213

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate (CID 139034686) is tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)NCC1CN(C(=O)OC(C)(C)C)CCN1.
What is the InChIKey of tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate?
The InChIKey is CLEYUZYSMOVCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4/c1-14(2,3)21-12(19)17-9-11-10-18(8-7-16-11)13(20)22-15(4,5)6/h11,16H,7-10H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate?
tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate has a molecular weight of 315.41 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 139034686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).