3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one

C16H22N4O2 — CID 135104344

IUPAC3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCC(OCc2ccccn2)CC1
InChIInChI=1S/C16H22N4O2/c21-16-18-7-10-20(16)12-11-19-8-4-15(5-9-19)22-13-14-3-1-2-6-17-14/h1-3,6-7,10,15H,4-5,8-9,11-13H2,(H,18,21)
InChIKeyXFJKWGIRDROIFI-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.25
Rot. Bonds6

About 3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one

3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one (PubChem CID 135104344) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one
PubChem CID135104344
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCC(OCc2ccccn2)CC1
InChIInChI=1S/C16H22N4O2/c21-16-18-7-10-20(16)12-11-19-8-4-15(5-9-19)22-13-14-3-1-2-6-17-14/h1-3,6-7,10,15H,4-5,8-9,11-13H2,(H,18,21)
InChIKeyXFJKWGIRDROIFI-UHFFFAOYSA-N
XLogP1.25
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 124750427
3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one
CID 118772854
3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 125156413
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529
4-[1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]morpholine
CID 135119659
2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine
CID 91830622
(5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 99926778
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine
CID 91829581
5,6-dimethyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70752110
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 118775788
5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 135106283
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one
CID 82906952

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one (CID 135104344) is 3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one is O=c1[nH]ccn1CCN1CCC(OCc2ccccn2)CC1.
What is the InChIKey of 3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one?
The InChIKey is XFJKWGIRDROIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-16-18-7-10-20(16)12-11-19-8-4-15(5-9-19)22-13-14-3-1-2-6-17-14/h1-3,6-7,10,15H,4-5,8-9,11-13H2,(H,18,21).
What are the key properties of 3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one?
3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 135104344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).