propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate

C16H30N2O4 — CID 59158861

IUPACpropan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O4/c1-12(2)21-15(20)18-10-7-13(8-11-18)6-9-17-14(19)22-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyXYZFTNFBTRSBRU-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.16
Rot. Bonds4

About propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate

propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate (PubChem CID 59158861) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
PubChem CID59158861
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Namepropan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O4/c1-12(2)21-15(20)18-10-7-13(8-11-18)6-9-17-14(19)22-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyXYZFTNFBTRSBRU-UHFFFAOYSA-N
XLogP3.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate
CID 177056107
tert-butyl 4-[2-(ethylamino)ethyl]piperidine-1-carboxylate
CID 71635409
tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate
CID 175690167
propan-2-yl N-(2-cyclopropylethyl)carbamate
CID 116656480
tert-butyl 4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 59868425
tert-butyl 4-[2-(1-ethylpiperidin-4-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 129124758
ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate
CID 143188885
3-(1-ethoxycarbonylpiperidin-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20825377
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
propan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate
CID 67133661
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate (CID 59158861) is propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate?
The InChIKey is XYZFTNFBTRSBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-12(2)21-15(20)18-10-7-13(8-11-18)6-9-17-14(19)22-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19).
What are the key properties of propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate?
propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 59158861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).