2-methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate

C18H34N2O5 — CID 69107906

IUPAC2-methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C(O)CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O5/c1-13(2)12-24-17(23)20-10-7-14(8-11-20)15(21)6-9-19-16(22)25-18(3,4)5/h13-15,21H,6-12H2,1-5H3,(H,19,22)
InChIKeyXCBMKIADUCACTO-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.77
Rot. Bonds6

About 2-methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate

2-methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate (PubChem CID 69107906) has the molecular formula C18H34N2O5 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate
PubChem CID69107906
Molecular FormulaC18H34N2O5
Molecular Weight358.48 g/mol
Exact Mass358.25
IUPAC Name2-methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C(O)CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O5/c1-13(2)12-24-17(23)20-10-7-14(8-11-20)15(21)6-9-19-16(22)25-18(3,4)5/h13-15,21H,6-12H2,1-5H3,(H,19,22)
InChIKeyXCBMKIADUCACTO-UHFFFAOYSA-N
XLogP2.77
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate (CID 69107906) is 2-methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(C(O)CCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of 2-methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate?
The InChIKey is XCBMKIADUCACTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O5/c1-13(2)12-24-17(23)20-10-7-14(8-11-20)15(21)6-9-19-16(22)25-18(3,4)5/h13-15,21H,6-12H2,1-5H3,(H,19,22).
What are the key properties of 2-methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate?
2-methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate has a molecular weight of 358.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 69107906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).