5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide

C21H34N4O — CID 176748280

IUPAC5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCC(C(C)(C)C)CC3)CC2)cn1
InChIInChI=1S/C21H34N4O/c1-21(2,3)16-7-11-24(12-8-16)17-9-13-25(14-10-17)18-5-6-19(23-15-18)20(26)22-4/h5-6,15-17H,7-14H2,1-4H3,(H,22,26)
InChIKeyCWHZGKSCLORVIT-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.17
Rot. Bonds3

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

5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 176748280) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID176748280
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCC(C(C)(C)C)CC3)CC2)cn1
InChIInChI=1S/C21H34N4O/c1-21(2,3)16-7-11-24(12-8-16)17-9-13-25(14-10-17)18-5-6-19(23-15-18)20(26)22-4/h5-6,15-17H,7-14H2,1-4H3,(H,22,26)
InChIKeyCWHZGKSCLORVIT-UHFFFAOYSA-N
XLogP3.17
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.17
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-[3-(2,2-dimethylpropyl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748206
5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748291
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 176748242
5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748312
4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide
CID 176748270
5-[4-(4-tert-butyl-2-azabicyclo[2.2.1]heptan-2-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748288
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-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 169148857
1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone
CID 83119164
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide
CID 176748271
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide
CID 176748212

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide (CID 176748280) is 5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCC(N3CCC(C(C)(C)C)CC3)CC2)cn1.
What is the InChIKey of 5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is CWHZGKSCLORVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-21(2,3)16-7-11-24(12-8-16)17-9-13-25(14-10-17)18-5-6-19(23-15-18)20(26)22-4/h5-6,15-17H,7-14H2,1-4H3,(H,22,26).
What are the key properties of 5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide?
5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 176748280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).