1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone

C17H20N4O2 — CID 137337439

IUPAC1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCC(Oc3ccncc3)CC2)nc1C
InChIInChI=1S/C17H20N4O2/c1-12-16(13(2)22)11-19-17(20-12)21-9-5-15(6-10-21)23-14-3-7-18-8-4-14/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3
InChIKeyWZGDMJWTHMBNNQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.43
Rot. Bonds4

About 1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone

1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone (PubChem CID 137337439) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone
PubChem CID137337439
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCC(Oc3ccncc3)CC2)nc1C
InChIInChI=1S/C17H20N4O2/c1-12-16(13(2)22)11-19-17(20-12)21-9-5-15(6-10-21)23-14-3-7-18-8-4-14/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3
InChIKeyWZGDMJWTHMBNNQ-UHFFFAOYSA-N
XLogP2.43
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
CID 135104601
4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 135111140
3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 137335528
(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
CID 126446397
1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone
CID 135096582
1-[4-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidin-5-yl]ethanone
CID 137341546
1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone
CID 72863951
1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
CID 135119885
N-[[8-(5-acetyl-4-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 72912414
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone
CID 166445399
4-methyl-2-(4-methylazepan-1-yl)pyrimidine-5-carboxylic acid
CID 83181691

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone (CID 137337439) is 1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone is CC(=O)c1cnc(N2CCC(Oc3ccncc3)CC2)nc1C.
What is the InChIKey of 1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone?
The InChIKey is WZGDMJWTHMBNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-16(13(2)22)11-19-17(20-12)21-9-5-15(6-10-21)23-14-3-7-18-8-4-14/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone?
1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone has a molecular weight of 312.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 137337439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).