1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one

C13H17N5O3 — CID 100647916

IUPAC1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one
SMILESO=C1NCCN1C(=O)N1CCC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C13H17N5O3/c19-12-16-5-7-18(12)13(20)17-6-1-2-10(9-17)21-11-8-14-3-4-15-11/h3-4,8,10H,1-2,5-7,9H2,(H,16,19)/t10-/m0/s1
InChIKeyFDLHYVWVIRIOEM-JTQLQIEISA-N
MW291.31 g/mol
LogP0.47
Rot. Bonds2

About 1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one

1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one (PubChem CID 100647916) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one
PubChem CID100647916
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one
SMILESO=C1NCCN1C(=O)N1CCC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C13H17N5O3/c19-12-16-5-7-18(12)13(20)17-6-1-2-10(9-17)21-11-8-14-3-4-15-11/h3-4,8,10H,1-2,5-7,9H2,(H,16,19)/t10-/m0/s1
InChIKeyFDLHYVWVIRIOEM-JTQLQIEISA-N
XLogP0.47
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)imidazolidin-2-one
CID 122161089
(5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 100644338
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]imidazolidin-2-one
CID 122268349
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione
CID 90636347
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100644461
1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one
CID 100738977
(4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 91627868
2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 91627845
[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100644530
[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100647150

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one?
The IUPAC name of 1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one (CID 100647916) is 1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one?
The canonical SMILES for 1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one is O=C1NCCN1C(=O)N1CCC[C@H](Oc2cnccn2)C1.
What is the InChIKey of 1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one?
The InChIKey is FDLHYVWVIRIOEM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N5O3/c19-12-16-5-7-18(12)13(20)17-6-1-2-10(9-17)21-11-8-14-3-4-15-11/h3-4,8,10H,1-2,5-7,9H2,(H,16,19)/t10-/m0/s1.
What are the key properties of 1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one?
1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one has a molecular weight of 291.31 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one is sourced from PubChem (CID 100647916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).