tert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate

C16H25N3O2 — CID 69206152

IUPACtert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCCCN1c1cccnc1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18(4)14-9-5-6-11-19(14)13-8-7-10-17-12-13/h7-8,10,12,14H,5-6,9,11H2,1-4H3
InChIKeyBAAFXSQMLDGMAH-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.26
Rot. Bonds2

About tert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate

tert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate (PubChem CID 69206152) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate
PubChem CID69206152
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nametert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCCCN1c1cccnc1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18(4)14-9-5-6-11-19(14)13-8-7-10-17-12-13/h7-8,10,12,14H,5-6,9,11H2,1-4H3
InChIKeyBAAFXSQMLDGMAH-UHFFFAOYSA-N
XLogP3.26
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate (CID 69206152) is tert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate is CN(C(=O)OC(C)(C)C)C1CCCCN1c1cccnc1.
What is the InChIKey of tert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate?
The InChIKey is BAAFXSQMLDGMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18(4)14-9-5-6-11-19(14)13-8-7-10-17-12-13/h7-8,10,12,14H,5-6,9,11H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate?
tert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate has a molecular weight of 291.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1-pyridin-3-ylpiperidin-2-yl)carbamate is sourced from PubChem (CID 69206152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).