[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate

C13H24N2O4 — CID 54317459

IUPAC[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate
SMILESCCC(=O)ON1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-5-11(16)19-15-8-6-10(7-9-15)14-12(17)18-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeySPFPWRBQOLLUMB-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.84
Rot. Bonds3

About [4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate

[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate (PubChem CID 54317459) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is [4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate.

Molecular Properties

Compound Name[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate
PubChem CID54317459
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate
SMILESCCC(=O)ON1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-5-11(16)19-15-8-6-10(7-9-15)14-12(17)18-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeySPFPWRBQOLLUMB-UHFFFAOYSA-N
XLogP1.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
CID 86330277
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166
tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate
CID 69118169
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate
CID 23565296
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid
CID 19706124
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methanesulfinic acid
CID 174605400

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate?
The IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate (CID 54317459) is [4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate.
What is the SMILES notation for [4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate?
The canonical SMILES for [4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate is CCC(=O)ON1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of [4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate?
The InChIKey is SPFPWRBQOLLUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-11(16)19-15-8-6-10(7-9-15)14-12(17)18-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17).
What are the key properties of [4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate?
[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate has a molecular weight of 272.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate is sourced from PubChem (CID 54317459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).