2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

C16H24N4O2 — CID 53189264

IUPAC2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCOc1nccc(N2CCC(CC(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C16H24N4O2/c1-22-16-17-7-4-14(18-16)19-10-5-13(6-11-19)12-15(21)20-8-2-3-9-20/h4,7,13H,2-3,5-6,8-12H2,1H3
InChIKeyPAKSMNZAGOBWLT-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.71
Rot. Bonds4

About 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 53189264) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID53189264
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCOc1nccc(N2CCC(CC(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C16H24N4O2/c1-22-16-17-7-4-14(18-16)19-10-5-13(6-11-19)12-15(21)20-8-2-3-9-20/h4,7,13H,2-3,5-6,8-12H2,1H3
InChIKeyPAKSMNZAGOBWLT-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (CID 53189264) is 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is COc1nccc(N2CCC(CC(=O)N3CCCC3)CC2)n1.
What is the InChIKey of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is PAKSMNZAGOBWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-22-16-17-7-4-14(18-16)19-10-5-13(6-11-19)12-15(21)20-8-2-3-9-20/h4,7,13H,2-3,5-6,8-12H2,1H3.
What are the key properties of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 304.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 53189264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).