1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea

C16H23N7O4 — CID 171564377

IUPAC1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea
SMILESO=C(Nc1ncco1)NN1CC(=O)N2CC(=O)N(CC3CCNCC3)CC12
InChIInChI=1S/C16H23N7O4/c24-13-9-22-12(8-21(13)7-11-1-3-17-4-2-11)23(10-14(22)25)20-15(26)19-16-18-5-6-27-16/h5-6,11-12,17H,1-4,7-10H2,(H2,18,19,20,26)
InChIKeyKPSRVFWNCGTDML-UHFFFAOYSA-N
MW377.41 g/mol
LogP-0.98
Rot. Bonds4

About 1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea

1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea (PubChem CID 171564377) has the molecular formula C16H23N7O4 and a molecular weight of 377.41 g/mol. Its IUPAC name is 1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea
PubChem CID171564377
Molecular FormulaC16H23N7O4
Molecular Weight377.41 g/mol
Exact Mass377.18
IUPAC Name1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea
SMILESO=C(Nc1ncco1)NN1CC(=O)N2CC(=O)N(CC3CCNCC3)CC12
InChIInChI=1S/C16H23N7O4/c24-13-9-22-12(8-21(13)7-11-1-3-17-4-2-11)23(10-14(22)25)20-15(26)19-16-18-5-6-27-16/h5-6,11-12,17H,1-4,7-10H2,(H2,18,19,20,26)
InChIKeyKPSRVFWNCGTDML-UHFFFAOYSA-N
XLogP-0.98
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea?
The IUPAC name of 1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea (CID 171564377) is 1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea.
What is the SMILES notation for 1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea?
The canonical SMILES for 1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea is O=C(Nc1ncco1)NN1CC(=O)N2CC(=O)N(CC3CCNCC3)CC12.
What is the InChIKey of 1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea?
The InChIKey is KPSRVFWNCGTDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O4/c24-13-9-22-12(8-21(13)7-11-1-3-17-4-2-11)23(10-14(22)25)20-15(26)19-16-18-5-6-27-16/h5-6,11-12,17H,1-4,7-10H2,(H2,18,19,20,26).
What are the key properties of 1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea?
1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea has a molecular weight of 377.41 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea is sourced from PubChem (CID 171564377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).