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

C23H36N4O2 — CID 58747989

IUPAC5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1
InChIInChI=1S/C23H36N4O2/c1-2-12-24-23(28)22-7-6-19(17-25-22)27-15-10-21(11-16-27)29-20-8-13-26(14-9-20)18-4-3-5-18/h6-7,17-18,20-21H,2-5,8-16H2,1H3,(H,24,28)
InChIKeyNCWCDKYOVWQMFL-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.22
Rot. Bonds7

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

5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide (PubChem CID 58747989) 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-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide
PubChem CID58747989
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1
InChIInChI=1S/C23H36N4O2/c1-2-12-24-23(28)22-7-6-19(17-25-22)27-15-10-21(11-16-27)29-20-8-13-26(14-9-20)18-4-3-5-18/h6-7,17-18,20-21H,2-5,8-16H2,1H3,(H,24,28)
InChIKeyNCWCDKYOVWQMFL-UHFFFAOYSA-N
XLogP3.22
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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-propylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide (CID 58747989) is 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide is CCCNC(=O)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1.
What is the InChIKey of 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide?
The InChIKey is NCWCDKYOVWQMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-2-12-24-23(28)22-7-6-19(17-25-22)27-15-10-21(11-16-27)29-20-8-13-26(14-9-20)18-4-3-5-18/h6-7,17-18,20-21H,2-5,8-16H2,1H3,(H,24,28).
What are the key properties of 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide?
5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide has a molecular weight of 400.57 g/mol, XLogP of 3.22, 7 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-propylpyridine-2-carboxamide is sourced from PubChem (CID 58747989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).