1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone

C22H29N5O2 — CID 92595888

IUPAC1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESCc1nc(C2CCN(C(=O)Cc3ccccn3)CC2)nc(N2CCOCC2)c1C
InChIInChI=1S/C22H29N5O2/c1-16-17(2)24-21(25-22(16)27-11-13-29-14-12-27)18-6-9-26(10-7-18)20(28)15-19-5-3-4-8-23-19/h3-5,8,18H,6-7,9-15H2,1-2H3
InChIKeyFETYZIBIOYJBBA-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.27
Rot. Bonds4

About 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone

1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 92595888) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
PubChem CID92595888
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESCc1nc(C2CCN(C(=O)Cc3ccccn3)CC2)nc(N2CCOCC2)c1C
InChIInChI=1S/C22H29N5O2/c1-16-17(2)24-21(25-22(16)27-11-13-29-14-12-27)18-6-9-26(10-7-18)20(28)15-19-5-3-4-8-23-19/h3-5,8,18H,6-7,9-15H2,1-2H3
InChIKeyFETYZIBIOYJBBA-UHFFFAOYSA-N
XLogP2.27
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone (CID 92595888) is 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone is Cc1nc(C2CCN(C(=O)Cc3ccccn3)CC2)nc(N2CCOCC2)c1C.
What is the InChIKey of 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is FETYZIBIOYJBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16-17(2)24-21(25-22(16)27-11-13-29-14-12-27)18-6-9-26(10-7-18)20(28)15-19-5-3-4-8-23-19/h3-5,8,18H,6-7,9-15H2,1-2H3.
What are the key properties of 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone?
1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 395.51 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 92595888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).