1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

C18H27N5O2 — CID 91785161

IUPAC1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCCc1cc(N2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)ncn1
InChIInChI=1S/C18H27N5O2/c1-3-16-12-17(20-13-19-16)22-8-10-23(11-9-22)18(25)15-4-6-21(7-5-15)14(2)24/h12-13,15H,3-11H2,1-2H3
InChIKeyVYEYEONPQJSRBN-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.95
Rot. Bonds3

About 1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 91785161) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID91785161
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCCc1cc(N2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)ncn1
InChIInChI=1S/C18H27N5O2/c1-3-16-12-17(20-13-19-16)22-8-10-23(11-9-22)18(25)15-4-6-21(7-5-15)14(2)24/h12-13,15H,3-11H2,1-2H3
InChIKeyVYEYEONPQJSRBN-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 155938932
2,5-dihydro-1H-pyrrol-2-yl-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 154911487
[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 125443911
[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanone
CID 97443810
1-[4-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 90600379
cyclopentyl-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343339
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
cyclopropyl-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133498837
cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755282
4-[4-(chloromethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 63390468
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
cyclopropyl-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 71800031

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 91785161) is 1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is CCc1cc(N2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)ncn1.
What is the InChIKey of 1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is VYEYEONPQJSRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-16-12-17(20-13-19-16)22-8-10-23(11-9-22)18(25)15-4-6-21(7-5-15)14(2)24/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 345.45 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91785161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).