morpholin-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone

C14H21N5O2 — CID 72876657

IUPACmorpholin-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C14H21N5O2/c20-14(19-7-9-21-10-8-19)18-5-2-12(3-6-18)17-13-1-4-15-11-16-13/h1,4,11-12H,2-3,5-10H2,(H,15,16,17)
InChIKeyHIPQCMVNXIAZHK-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.81
Rot. Bonds2

About morpholin-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone

morpholin-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone (PubChem CID 72876657) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is morpholin-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
PubChem CID72876657
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Namemorpholin-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C14H21N5O2/c20-14(19-7-9-21-10-8-19)18-5-2-12(3-6-18)17-13-1-4-15-11-16-13/h1,4,11-12H,2-3,5-10H2,(H,15,16,17)
InChIKeyHIPQCMVNXIAZHK-UHFFFAOYSA-N
XLogP0.81
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone (CID 72876657) is morpholin-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone is O=C(N1CCOCC1)N1CCC(Nc2ccncn2)CC1.
What is the InChIKey of morpholin-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The InChIKey is HIPQCMVNXIAZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c20-14(19-7-9-21-10-8-19)18-5-2-12(3-6-18)17-13-1-4-15-11-16-13/h1,4,11-12H,2-3,5-10H2,(H,15,16,17).
What are the key properties of morpholin-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
morpholin-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone has a molecular weight of 291.35 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 72876657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).