tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate

C14H25N3O3 — CID 53432568

IUPACtert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)16-9-5-11(6-10-16)17-8-4-7-15-12(17)18/h11H,4-10H2,1-3H3,(H,15,18)
InChIKeyMFWOBVXLPIKVOE-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.80
Rot. Bonds1

About tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate

tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate (PubChem CID 53432568) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
PubChem CID53432568
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)16-9-5-11(6-10-16)17-8-4-7-15-12(17)18/h11H,4-10H2,1-3H3,(H,15,18)
InChIKeyMFWOBVXLPIKVOE-UHFFFAOYSA-N
XLogP1.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-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-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 118114407
tert-butyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]butanoate
CID 122139262
tert-butyl 4-(3-hydroxy-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 66800319
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985
(3aR)-3-piperidin-4-yl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one;tert-butyl 4-[(7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-yl]piperidine-1-carboxylate
CID 157175126
(3R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 42544015
(7aR)-1-piperidin-4-yl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one;tert-butyl 4-[(7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]piperidine-1-carboxylate
CID 161124344
tert-butyl 4-methyl-1,5-diazocane-1-carboxylate
CID 82391173
tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate
CID 10335583
tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride
CID 68579096
tert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 122455643
tert-butyl 4-oxo-1,5-diazonane-1-carboxylate
CID 14106150

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate (CID 53432568) is tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CCCNC2=O)CC1.
What is the InChIKey of tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate?
The InChIKey is MFWOBVXLPIKVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)16-9-5-11(6-10-16)17-8-4-7-15-12(17)18/h11H,4-10H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 53432568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).