tert-butyl N-[1-[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]piperidin-4-yl]carbamate

C19H29N3O5 — CID 71700715

IUPACtert-butyl N-[1-[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]piperidin-4-yl]carbamate
SMILESCc1cc(=O)c(OCC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cn1C
InChIInChI=1S/C19H29N3O5/c1-13-10-15(23)16(11-21(13)5)26-12-17(24)22-8-6-14(7-9-22)20-18(25)27-19(2,3)4/h10-11,14H,6-9,12H2,1-5H3,(H,20,25)
InChIKeyOMRJYLWVHQIPBB-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.59
Rot. Bonds4

About tert-butyl N-[1-[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]piperidin-4-yl]carbamate (PubChem CID 71700715) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is tert-butyl N-[1-[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]piperidin-4-yl]carbamate
PubChem CID71700715
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Nametert-butyl N-[1-[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]piperidin-4-yl]carbamate
SMILESCc1cc(=O)c(OCC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cn1C
InChIInChI=1S/C19H29N3O5/c1-13-10-15(23)16(11-21(13)5)26-12-17(24)22-8-6-14(7-9-22)20-18(25)27-19(2,3)4/h10-11,14H,6-9,12H2,1-5H3,(H,20,25)
InChIKeyOMRJYLWVHQIPBB-UHFFFAOYSA-N
XLogP1.59
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]piperidin-4-yl]carbamate (CID 71700715) is tert-butyl N-[1-[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]piperidin-4-yl]carbamate is Cc1cc(=O)c(OCC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cn1C.
What is the InChIKey of tert-butyl N-[1-[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]piperidin-4-yl]carbamate?
The InChIKey is OMRJYLWVHQIPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-13-10-15(23)16(11-21(13)5)26-12-17(24)22-8-6-14(7-9-22)20-18(25)27-19(2,3)4/h10-11,14H,6-9,12H2,1-5H3,(H,20,25).
What are the key properties of tert-butyl N-[1-[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]piperidin-4-yl]carbamate has a molecular weight of 379.46 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 71700715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).