1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

C14H21N5O2 — CID 70702860

IUPAC1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C14H21N5O2/c1-12(20)17-2-4-18(5-3-17)13-10-14(16-11-15-13)19-6-8-21-9-7-19/h10-11H,2-9H2,1H3
InChIKeyFBGDAWHCKHFCBM-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.02
Rot. Bonds2

About 1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 70702860) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID70702860
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C14H21N5O2/c1-12(20)17-2-4-18(5-3-17)13-10-14(16-11-15-13)19-6-8-21-9-7-19/h10-11H,2-9H2,1H3
InChIKeyFBGDAWHCKHFCBM-UHFFFAOYSA-N
XLogP-0.02
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 70702860) is 1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1.
What is the InChIKey of 1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is FBGDAWHCKHFCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-12(20)17-2-4-18(5-3-17)13-10-14(16-11-15-13)19-6-8-21-9-7-19/h10-11H,2-9H2,1H3.
What are the key properties of 1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 291.35 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 70702860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).