1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone

C17H24N4O3 — CID 121161803

IUPAC1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(Oc3ccncn3)CC2)CC1
InChIInChI=1S/C17H24N4O3/c1-13(22)20-8-3-14(4-9-20)17(23)21-10-5-15(6-11-21)24-16-2-7-18-12-19-16/h2,7,12,14-15H,3-6,8-11H2,1H3
InChIKeyVKJKBYJCSRUBKY-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.10
Rot. Bonds3

About 1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone

1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 121161803) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID121161803
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(Oc3ccncn3)CC2)CC1
InChIInChI=1S/C17H24N4O3/c1-13(22)20-8-3-14(4-9-20)17(23)21-10-5-15(6-11-21)24-16-2-7-18-12-19-16/h2,7,12,14-15H,3-6,8-11H2,1H3
InChIKeyVKJKBYJCSRUBKY-UHFFFAOYSA-N
XLogP1.10
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162054
1-[4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 121162378
5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 121161754
(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162110
4-(1-methylpiperidin-4-yl)oxypyrimidine
CID 123827730
(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161842
(4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162010
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
2-pyridin-4-ylsulfanyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121162112
2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161768
(4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161847
3,3-dimethyl-1-(3-pyrimidin-4-yloxypyrrolidin-1-yl)butan-1-one
CID 122160875

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone (CID 121161803) is 1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCC(Oc3ccncn3)CC2)CC1.
What is the InChIKey of 1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is VKJKBYJCSRUBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13(22)20-8-3-14(4-9-20)17(23)21-10-5-15(6-11-21)24-16-2-7-18-12-19-16/h2,7,12,14-15H,3-6,8-11H2,1H3.
What are the key properties of 1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone?
1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 332.40 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 121161803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).