5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide

C23H36N4O2 — CID 58747980

IUPAC5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1
InChIInChI=1S/C23H36N4O2/c1-17(2)25-23(28)22-7-6-19(16-24-22)27-14-10-21(11-15-27)29-20-8-12-26(13-9-20)18-4-3-5-18/h6-7,16-18,20-21H,3-5,8-15H2,1-2H3,(H,25,28)
InChIKeyJYAQKCCNFKDLJR-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.22
Rot. Bonds6

About 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide

5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 58747980) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
PubChem CID58747980
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1
InChIInChI=1S/C23H36N4O2/c1-17(2)25-23(28)22-7-6-19(16-24-22)27-14-10-21(11-15-27)29-20-8-12-26(13-9-20)18-4-3-5-18/h6-7,16-18,20-21H,3-5,8-15H2,1-2H3,(H,25,28)
InChIKeyJYAQKCCNFKDLJR-UHFFFAOYSA-N
XLogP3.22
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide (CID 58747980) is 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1.
What is the InChIKey of 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is JYAQKCCNFKDLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-17(2)25-23(28)22-7-6-19(16-24-22)27-14-10-21(11-15-27)29-20-8-12-26(13-9-20)18-4-3-5-18/h6-7,16-18,20-21H,3-5,8-15H2,1-2H3,(H,25,28).
What are the key properties of 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide?
5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 400.57 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 58747980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).