tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate

C13H25N3O3 — CID 47442439

IUPACtert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate
SMILESCNC(=O)NCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)16-8-6-5-7-10(16)9-15-11(17)14-4/h10H,5-9H2,1-4H3,(H2,14,15,17)
InChIKeyHJDMVHJNYVWTIM-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.71
Rot. Bonds2

About tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate

tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate (PubChem CID 47442439) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate
PubChem CID47442439
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nametert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate
SMILESCNC(=O)NCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)16-8-6-5-7-10(16)9-15-11(17)14-4/h10H,5-9H2,1-4H3,(H2,14,15,17)
InChIKeyHJDMVHJNYVWTIM-UHFFFAOYSA-N
XLogP1.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-[(methylcarbamothioylamino)methyl]piperidine-1-carboxylate
CID 97006807
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl (2S)-2-[[(2-chloroacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 59215816
tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66563910
tert-butyl 2-[[(4-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxylate
CID 23450132
tert-butyl 2-[(1,4-dioxan-2-ylmethylcarbamoylamino)methyl]piperidine-1-carboxylate
CID 71936823
tert-butyl (2S)-2-[[2-[4-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]methyl]piperidine-1-carboxylate
CID 95282922
tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 106634012
tert-butyl 2-[(5-methoxypentanoylamino)methyl]piperidine-1-carboxylate
CID 86872245

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate (CID 47442439) is tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate is CNC(=O)NCC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate?
The InChIKey is HJDMVHJNYVWTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)16-8-6-5-7-10(16)9-15-11(17)14-4/h10H,5-9H2,1-4H3,(H2,14,15,17).
What are the key properties of tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate?
tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 47442439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).