1-[4-[3-[1-(2,3-dihydro-1H-pyrrole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone

C19H25N5O3 — CID 70170345

IUPAC1-[4-[3-[1-(2,3-dihydro-1H-pyrrole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2OC2CN(C(=O)C3CC=CN3)C2)CC1
InChIInChI=1S/C19H25N5O3/c1-13(25)23-9-4-14(5-10-23)17-18(22-8-7-21-17)27-15-11-24(12-15)19(26)16-3-2-6-20-16/h2,6-8,14-16,20H,3-5,9-12H2,1H3
InChIKeyNDLBXONYDQBGGZ-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.67
Rot. Bonds4

About 1-[4-[3-[1-(2,3-dihydro-1H-pyrrole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone

1-[4-[3-[1-(2,3-dihydro-1H-pyrrole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 70170345) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[4-[3-[1-(2,3-dihydro-1H-pyrrole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[1-(2,3-dihydro-1H-pyrrole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID70170345
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1-[4-[3-[1-(2,3-dihydro-1H-pyrrole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2OC2CN(C(=O)C3CC=CN3)C2)CC1
InChIInChI=1S/C19H25N5O3/c1-13(25)23-9-4-14(5-10-23)17-18(22-8-7-21-17)27-15-11-24(12-15)19(26)16-3-2-6-20-16/h2,6-8,14-16,20H,3-5,9-12H2,1H3
InChIKeyNDLBXONYDQBGGZ-UHFFFAOYSA-N
XLogP0.67
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54670110
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175662745
1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone
CID 58547694
1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 59351312
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757116
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757122
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95842023
1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95825744
1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110131717
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[1-(2,3-dihydro-1H-pyrrole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[1-(2,3-dihydro-1H-pyrrole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone (CID 70170345) is 1-[4-[3-[1-(2,3-dihydro-1H-pyrrole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[1-(2,3-dihydro-1H-pyrrole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[1-(2,3-dihydro-1H-pyrrole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nccnc2OC2CN(C(=O)C3CC=CN3)C2)CC1.
What is the InChIKey of 1-[4-[3-[1-(2,3-dihydro-1H-pyrrole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is NDLBXONYDQBGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-13(25)23-9-4-14(5-10-23)17-18(22-8-7-21-17)27-15-11-24(12-15)19(26)16-3-2-6-20-16/h2,6-8,14-16,20H,3-5,9-12H2,1H3.
What are the key properties of 1-[4-[3-[1-(2,3-dihydro-1H-pyrrole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone?
1-[4-[3-[1-(2,3-dihydro-1H-pyrrole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 371.44 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[1-(2,3-dihydro-1H-pyrrole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70170345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).