tert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate

C15H24N4O2 — CID 151643186

IUPACtert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)18-17-12-7-8-13(16-11-12)19-9-5-4-6-10-19/h7-8,11,17H,4-6,9-10H2,1-3H3,(H,18,20)
InChIKeyQSYQGPRMCUIOPC-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.92
Rot. Bonds3

About tert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate

tert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate (PubChem CID 151643186) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate
PubChem CID151643186
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nametert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)18-17-12-7-8-13(16-11-12)19-9-5-4-6-10-19/h7-8,11,17H,4-6,9-10H2,1-3H3,(H,18,20)
InChIKeyQSYQGPRMCUIOPC-UHFFFAOYSA-N
XLogP2.92
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
CID 113015925
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
tert-butyl 4-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]piperazine-1-carboxylate
CID 47040321
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
tert-butyl N-[5-[6-(azepan-1-yl)-3-pyridinyl]-5-oxopentyl]carbamate
CID 102541843
tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate
CID 143289183
(2R)-2-amino-3,3-dimethyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 103928716
tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate
CID 167726379
3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 63679043
tert-butyl N-[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-4-yl]carbamate
CID 69116044
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
tert-butyl N-[2-[[N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111885588

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate (CID 151643186) is tert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate is CC(C)(C)OC(=O)NNc1ccc(N2CCCCC2)nc1.
What is the InChIKey of tert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate?
The InChIKey is QSYQGPRMCUIOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)18-17-12-7-8-13(16-11-12)19-9-5-4-6-10-19/h7-8,11,17H,4-6,9-10H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate?
tert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate is sourced from PubChem (CID 151643186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).