morpholin-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C18H27N5O2 — CID 70754172

IUPACmorpholin-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(C1CNCCO1)N1CCC(c2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C18H27N5O2/c24-18(16-12-19-5-10-25-16)23-8-3-14(4-9-23)15-11-17(21-13-20-15)22-6-1-2-7-22/h11,13-14,16,19H,1-10,12H2
InChIKeyVEPLFYYCRDLJPZ-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.77
Rot. Bonds3

About morpholin-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone

morpholin-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 70754172) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is morpholin-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID70754172
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Namemorpholin-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(C1CNCCO1)N1CCC(c2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C18H27N5O2/c24-18(16-12-19-5-10-25-16)23-8-3-14(4-9-23)15-11-17(21-13-20-15)22-6-1-2-7-22/h11,13-14,16,19H,1-10,12H2
InChIKeyVEPLFYYCRDLJPZ-UHFFFAOYSA-N
XLogP0.77
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of morpholin-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 70754172) is morpholin-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for morpholin-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for morpholin-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone is O=C(C1CNCCO1)N1CCC(c2cc(N3CCCC3)ncn2)CC1.
What is the InChIKey of morpholin-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is VEPLFYYCRDLJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-18(16-12-19-5-10-25-16)23-8-3-14(4-9-23)15-11-17(21-13-20-15)22-6-1-2-7-22/h11,13-14,16,19H,1-10,12H2.
What are the key properties of morpholin-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
morpholin-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 345.45 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70754172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).