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

C22H36N4O2 — CID 69354232

IUPAC5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCC(OC3CCN(C(C)C)CC3)CC2)cn1
InChIInChI=1S/C22H36N4O2/c1-4-11-23-22(27)21-6-5-18(16-24-21)26-14-9-20(10-15-26)28-19-7-12-25(13-8-19)17(2)3/h5-6,16-17,19-20H,4,7-15H2,1-3H3,(H,23,27)
InChIKeyAMINSDCALBKJPO-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.08
Rot. Bonds7

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

5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide (PubChem CID 69354232) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide
PubChem CID69354232
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCC(OC3CCN(C(C)C)CC3)CC2)cn1
InChIInChI=1S/C22H36N4O2/c1-4-11-23-22(27)21-6-5-18(16-24-21)26-14-9-20(10-15-26)28-19-7-12-25(13-8-19)17(2)3/h5-6,16-17,19-20H,4,7-15H2,1-3H3,(H,23,27)
InChIKeyAMINSDCALBKJPO-UHFFFAOYSA-N
XLogP3.08
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide (CID 69354232) is 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide is CCCNC(=O)c1ccc(N2CCC(OC3CCN(C(C)C)CC3)CC2)cn1.
What is the InChIKey of 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide?
The InChIKey is AMINSDCALBKJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-4-11-23-22(27)21-6-5-18(16-24-21)26-14-9-20(10-15-26)28-19-7-12-25(13-8-19)17(2)3/h5-6,16-17,19-20H,4,7-15H2,1-3H3,(H,23,27).
What are the key properties of 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide?
5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 69354232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).