tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate

C21H33N3O2 — CID 102541195

IUPACtert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate
SMILESCCN1CCCCC1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1
InChIInChI=1S/C21H33N3O2/c1-5-23-14-7-6-11-18(23)16-12-13-19(22-15-16)24(17-9-8-10-17)20(25)26-21(2,3)4/h12-13,15,17-18H,5-11,14H2,1-4H3
InChIKeySCTBZBKHFKTOHC-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.92
Rot. Bonds4

About tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate

tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate (PubChem CID 102541195) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate
PubChem CID102541195
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Nametert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate
SMILESCCN1CCCCC1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1
InChIInChI=1S/C21H33N3O2/c1-5-23-14-7-6-11-18(23)16-12-13-19(22-15-16)24(17-9-8-10-17)20(25)26-21(2,3)4/h12-13,15,17-18H,5-11,14H2,1-4H3
InChIKeySCTBZBKHFKTOHC-UHFFFAOYSA-N
XLogP4.92
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate (CID 102541195) is tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate is CCN1CCCCC1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1.
What is the InChIKey of tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate?
The InChIKey is SCTBZBKHFKTOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-5-23-14-7-6-11-18(23)16-12-13-19(22-15-16)24(17-9-8-10-17)20(25)26-21(2,3)4/h12-13,15,17-18H,5-11,14H2,1-4H3.
What are the key properties of tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate?
tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate has a molecular weight of 359.51 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 102541195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).