tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate

C17H32N2O4 — CID 86811560

IUPACtert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate
SMILESCC(C)(C)OC(=O)CN(CC1CCCNC1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-16(2,3)22-14(20)12-19(15(21)23-17(4,5)6)11-13-8-7-9-18-10-13/h13,18H,7-12H2,1-6H3
InChIKeyNNWQEGZTFIOUSA-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.56
Rot. Bonds4

About tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate

tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate (PubChem CID 86811560) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate
PubChem CID86811560
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate
SMILESCC(C)(C)OC(=O)CN(CC1CCCNC1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-16(2,3)22-14(20)12-19(15(21)23-17(4,5)6)11-13-8-7-9-18-10-13/h13,18H,7-12H2,1-6H3
InChIKeyNNWQEGZTFIOUSA-UHFFFAOYSA-N
XLogP2.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate (CID 86811560) is tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate is CC(C)(C)OC(=O)CN(CC1CCCNC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate?
The InChIKey is NNWQEGZTFIOUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-16(2,3)22-14(20)12-19(15(21)23-17(4,5)6)11-13-8-7-9-18-10-13/h13,18H,7-12H2,1-6H3.
What are the key properties of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate?
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate has a molecular weight of 328.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate is sourced from PubChem (CID 86811560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).