tert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate

C20H33N3O2 — CID 102541066

IUPACtert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate
SMILESCCC(C)N(C(=O)OC(C)(C)C)c1ccc(C2CCCCN2C)cn1
InChIInChI=1S/C20H33N3O2/c1-7-15(2)23(19(24)25-20(3,4)5)18-12-11-16(14-21-18)17-10-8-9-13-22(17)6/h11-12,14-15,17H,7-10,13H2,1-6H3
InChIKeyGLJXFSGZGBTCQP-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.78
Rot. Bonds4

About tert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate

tert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate (PubChem CID 102541066) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is tert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate
PubChem CID102541066
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Nametert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate
SMILESCCC(C)N(C(=O)OC(C)(C)C)c1ccc(C2CCCCN2C)cn1
InChIInChI=1S/C20H33N3O2/c1-7-15(2)23(19(24)25-20(3,4)5)18-12-11-16(14-21-18)17-10-8-9-13-22(17)6/h11-12,14-15,17H,7-10,13H2,1-6H3
InChIKeyGLJXFSGZGBTCQP-UHFFFAOYSA-N
XLogP4.78
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate (CID 102541066) is tert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate is CCC(C)N(C(=O)OC(C)(C)C)c1ccc(C2CCCCN2C)cn1.
What is the InChIKey of tert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate?
The InChIKey is GLJXFSGZGBTCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-7-15(2)23(19(24)25-20(3,4)5)18-12-11-16(14-21-18)17-10-8-9-13-22(17)6/h11-12,14-15,17H,7-10,13H2,1-6H3.
What are the key properties of tert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate?
tert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate has a molecular weight of 347.50 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 102541066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).