1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone

C22H35N5O2 — CID 95799250

IUPAC1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
SMILESCCc1cc(N2CCOCC2)nc(C2CCN(C(=O)CN3CCCCC3)CC2)n1
InChIInChI=1S/C22H35N5O2/c1-2-19-16-20(26-12-14-29-15-13-26)24-22(23-19)18-6-10-27(11-7-18)21(28)17-25-8-4-3-5-9-25/h16,18H,2-15,17H2,1H3
InChIKeyPFCHMBVPOBBTDZ-UHFFFAOYSA-N
MW401.56 g/mol
LogP2.07
Rot. Bonds5

About 1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone

1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone (PubChem CID 95799250) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
PubChem CID95799250
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Name1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
SMILESCCc1cc(N2CCOCC2)nc(C2CCN(C(=O)CN3CCCCC3)CC2)n1
InChIInChI=1S/C22H35N5O2/c1-2-19-16-20(26-12-14-29-15-13-26)24-22(23-19)18-6-10-27(11-7-18)21(28)17-25-8-4-3-5-9-25/h16,18H,2-15,17H2,1H3
InChIKeyPFCHMBVPOBBTDZ-UHFFFAOYSA-N
XLogP2.07
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone (CID 95799250) is 1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone is CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)CN3CCCCC3)CC2)n1.
What is the InChIKey of 1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone?
The InChIKey is PFCHMBVPOBBTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-2-19-16-20(26-12-14-29-15-13-26)24-22(23-19)18-6-10-27(11-7-18)21(28)17-25-8-4-3-5-9-25/h16,18H,2-15,17H2,1H3.
What are the key properties of 1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone?
1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone has a molecular weight of 401.56 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 95799250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).