5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide

C22H36N4O — CID 176748291

IUPAC5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCCC(C)(C(C)(C)C)C3)CC2)cn1
InChIInChI=1S/C22H36N4O/c1-21(2,3)22(4)11-6-12-26(16-22)17-9-13-25(14-10-17)18-7-8-19(24-15-18)20(27)23-5/h7-8,15,17H,6,9-14,16H2,1-5H3,(H,23,27)
InChIKeyDCTVJRNCHPKYGU-UHFFFAOYSA-N
MW372.56 g/mol
LogP3.56
Rot. Bonds3

About 5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide

5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 176748291) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID176748291
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCCC(C)(C(C)(C)C)C3)CC2)cn1
InChIInChI=1S/C22H36N4O/c1-21(2,3)22(4)11-6-12-26(16-22)17-9-13-25(14-10-17)18-7-8-19(24-15-18)20(27)23-5/h7-8,15,17H,6,9-14,16H2,1-5H3,(H,23,27)
InChIKeyDCTVJRNCHPKYGU-UHFFFAOYSA-N
XLogP3.56
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(3-tert-butyl-3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748323
5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748280
5-[4-[3-(2,2-dimethylpropyl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748206
5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748312
5-[4-(4-tert-butyl-2-azabicyclo[2.2.1]heptan-2-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748288
ethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane
CID 169148598
N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 169148857
N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148771
5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149167
N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964726
N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964817
N-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148887

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide (CID 176748291) is 5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCC(N3CCCC(C)(C(C)(C)C)C3)CC2)cn1.
What is the InChIKey of 5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is DCTVJRNCHPKYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O/c1-21(2,3)22(4)11-6-12-26(16-22)17-9-13-25(14-10-17)18-7-8-19(24-15-18)20(27)23-5/h7-8,15,17H,6,9-14,16H2,1-5H3,(H,23,27).
What are the key properties of 5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide?
5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 372.56 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 176748291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).