tert-butyl 4-carbamoyloxypiperidine-1-carboxylate

C11H20N2O4 — CID 21292956

IUPACtert-butyl 4-carbamoyloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC(N)=O)CC1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-4-8(5-7-13)16-9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)
InChIKeyPHGWRBJRIBZHSA-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.48
Rot. Bonds1

About tert-butyl 4-carbamoyloxypiperidine-1-carboxylate

tert-butyl 4-carbamoyloxypiperidine-1-carboxylate (PubChem CID 21292956) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl 4-carbamoyloxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-carbamoyloxypiperidine-1-carboxylate
PubChem CID21292956
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nametert-butyl 4-carbamoyloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC(N)=O)CC1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-4-8(5-7-13)16-9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)
InChIKeyPHGWRBJRIBZHSA-UHFFFAOYSA-N
XLogP1.48
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-oxoacetic acid
CID 138967384
tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate
CID 13466617
tert-butyl 4-[4-(cyclopropanecarbonyloxy)piperidine-1-carbonyl]piperazine-1-carboxylate
CID 175130527
tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate
CID 124584355
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 70848320
tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate
CID 143388075
tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 59506078
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-2-oxoacetic acid
CID 154710918
tert-butyl 4-aminosulfanylpiperidine-1-carboxylate
CID 135202849
tert-butyl (3R)-3-hydroperoxypyrrolidine-1-carboxylate
CID 146427923
tert-butyl (4S,5S)-4-amino-5-methylazepane-1-carboxylate
CID 124523400
tert-butyl 4-[carbamoyl(sulfanyl)amino]piperidine-1-carboxylate
CID 87593874

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-carbamoyloxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-carbamoyloxypiperidine-1-carboxylate (CID 21292956) is tert-butyl 4-carbamoyloxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-carbamoyloxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-carbamoyloxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OC(N)=O)CC1.
What is the InChIKey of tert-butyl 4-carbamoyloxypiperidine-1-carboxylate?
The InChIKey is PHGWRBJRIBZHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-4-8(5-7-13)16-9(12)14/h8H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of tert-butyl 4-carbamoyloxypiperidine-1-carboxylate?
tert-butyl 4-carbamoyloxypiperidine-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-carbamoyloxypiperidine-1-carboxylate is sourced from PubChem (CID 21292956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).