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

C17H27N3O2 — CID 113030719

IUPACtert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate
SMILESCCC1CCCCN1c1ccc(NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C17H27N3O2/c1-5-13-8-6-7-11-20(13)14-9-10-15(18-12-14)19-16(21)22-17(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3,(H,18,19,21)
InChIKeyVYWAAFRWKJWHRI-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.20
Rot. Bonds3

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

tert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate (PubChem CID 113030719) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate
PubChem CID113030719
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate
SMILESCCC1CCCCN1c1ccc(NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C17H27N3O2/c1-5-13-8-6-7-11-20(13)14-9-10-15(18-12-14)19-16(21)22-17(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3,(H,18,19,21)
InChIKeyVYWAAFRWKJWHRI-UHFFFAOYSA-N
XLogP4.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-3-phenylurea
CID 113030715
N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113030714
N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113030692
N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-4-fluorobenzamide
CID 113030675
N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]furan-2-carboxamide
CID 113030667
5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 104690117
tert-butyl N-[5-[(1-methylpiperidin-4-yl)methylamino]-2-pyridinyl]carbamate
CID 107243097
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196262
N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196271
tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate
CID 114238920
4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 82034796
tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate
CID 107243166

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate (CID 113030719) is tert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate is CCC1CCCCN1c1ccc(NC(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate?
The InChIKey is VYWAAFRWKJWHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-13-8-6-7-11-20(13)14-9-10-15(18-12-14)19-16(21)22-17(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3,(H,18,19,21).
What are the key properties of tert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate?
tert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 113030719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).