azepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone

C20H31N5O2 — CID 53165819

IUPACazepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cncnc2N2CCOCC2)CC1)N1CCCCCC1
InChIInChI=1S/C20H31N5O2/c26-20(25-7-3-1-2-4-8-25)17-5-9-23(10-6-17)18-15-21-16-22-19(18)24-11-13-27-14-12-24/h15-17H,1-14H2
InChIKeyBKVMWKGCMLOSHO-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.93
Rot. Bonds3

About azepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone

azepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone (PubChem CID 53165819) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is azepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone
PubChem CID53165819
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Nameazepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cncnc2N2CCOCC2)CC1)N1CCCCCC1
InChIInChI=1S/C20H31N5O2/c26-20(25-7-3-1-2-4-8-25)17-5-9-23(10-6-17)18-15-21-16-22-19(18)24-11-13-27-14-12-24/h15-17H,1-14H2
InChIKeyBKVMWKGCMLOSHO-UHFFFAOYSA-N
XLogP1.93
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone (CID 53165819) is azepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2cncnc2N2CCOCC2)CC1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone?
The InChIKey is BKVMWKGCMLOSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c26-20(25-7-3-1-2-4-8-25)17-5-9-23(10-6-17)18-15-21-16-22-19(18)24-11-13-27-14-12-24/h15-17H,1-14H2.
What are the key properties of azepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone?
azepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone has a molecular weight of 373.50 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 53165819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).