1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone

C17H25N3O2 — CID 58547694

IUPAC1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2OC2CCNCC2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(21)20-11-6-14(7-12-20)16-3-2-8-19-17(16)22-15-4-9-18-10-5-15/h2-3,8,14-15,18H,4-7,9-12H2,1H3
InChIKeyGKRHUSDOVOYWJV-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.94
Rot. Bonds3

About 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone

1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone (PubChem CID 58547694) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone
PubChem CID58547694
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2OC2CCNCC2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(21)20-11-6-14(7-12-20)16-3-2-8-19-17(16)22-15-4-9-18-10-5-15/h2-3,8,14-15,18H,4-7,9-12H2,1H3
InChIKeyGKRHUSDOVOYWJV-UHFFFAOYSA-N
XLogP1.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548087
1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548003
1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548110
1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone
CID 126758698
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 67477462
isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 54670305
4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide
CID 67478721
2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride
CID 158280503
2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride
CID 159164139
1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]but-2-en-1-one
CID 91939329
3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid
CID 58548534

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone (CID 58547694) is 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cccnc2OC2CCNCC2)CC1.
What is the InChIKey of 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone?
The InChIKey is GKRHUSDOVOYWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(21)20-11-6-14(7-12-20)16-3-2-8-19-17(16)22-15-4-9-18-10-5-15/h2-3,8,14-15,18H,4-7,9-12H2,1H3.
What are the key properties of 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone?
1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone has a molecular weight of 303.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 58547694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).