tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate

C14H27N3O3 — CID 126812951

IUPACtert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate
SMILESCCN(C)C(=O)NC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27N3O3/c1-6-16(5)12(18)15-11-8-7-9-17(10-11)13(19)20-14(2,3)4/h11H,6-10H2,1-5H3,(H,15,18)
InChIKeyJQYKUCKZSLLRSJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.05
Rot. Bonds2

About tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate

tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate (PubChem CID 126812951) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate
PubChem CID126812951
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate
SMILESCCN(C)C(=O)NC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27N3O3/c1-6-16(5)12(18)15-11-8-7-9-17(10-11)13(19)20-14(2,3)4/h11H,6-10H2,1-5H3,(H,15,18)
InChIKeyJQYKUCKZSLLRSJ-UHFFFAOYSA-N
XLogP2.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[[[ethyl(methyl)carbamoyl]amino]methyl]piperidine-1-carboxylate
CID 71934310
tert-butyl (3S)-3-(dimethylcarbamoylamino)pyrrolidine-1-carboxylate
CID 129379096
tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
CID 53256453
tert-butyl (3S)-3-[[(E)-but-2-enoyl]amino]piperidine-1-carboxylate
CID 155353442
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 171397391
tert-butyl (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311882
tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311884
tert-butyl (3R)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]piperidine-1-carboxylate
CID 66564157
tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate
CID 75994051
tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 82944881
tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate (CID 126812951) is tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate is CCN(C)C(=O)NC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate?
The InChIKey is JQYKUCKZSLLRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-6-16(5)12(18)15-11-8-7-9-17(10-11)13(19)20-14(2,3)4/h11H,6-10H2,1-5H3,(H,15,18).
What are the key properties of tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate?
tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 126812951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).