tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate

C20H33N3O2 — CID 102540875

IUPACtert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)c1ncccc1C1CCCCN1CC
InChIInChI=1S/C20H33N3O2/c1-6-14-23(19(24)25-20(3,4)5)18-16(11-10-13-21-18)17-12-8-9-15-22(17)7-2/h10-11,13,17H,6-9,12,14-15H2,1-5H3
InChIKeySMSLOWVPRXZMIS-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.78
Rot. Bonds5

About tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate

tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate (PubChem CID 102540875) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
PubChem CID102540875
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Nametert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)c1ncccc1C1CCCCN1CC
InChIInChI=1S/C20H33N3O2/c1-6-14-23(19(24)25-20(3,4)5)18-16(11-10-13-21-18)17-12-8-9-15-22(17)7-2/h10-11,13,17H,6-9,12,14-15H2,1-5H3
InChIKeySMSLOWVPRXZMIS-UHFFFAOYSA-N
XLogP4.78
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate (CID 102540875) is tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate is CCCN(C(=O)OC(C)(C)C)c1ncccc1C1CCCCN1CC.
What is the InChIKey of tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate?
The InChIKey is SMSLOWVPRXZMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-6-14-23(19(24)25-20(3,4)5)18-16(11-10-13-21-18)17-12-8-9-15-22(17)7-2/h10-11,13,17H,6-9,12,14-15H2,1-5H3.
What are the key properties of tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate?
tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate has a molecular weight of 347.50 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate is sourced from PubChem (CID 102540875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).