[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C20H28N6O — CID 90520093

IUPAC[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1nccn1-c1cc(N2CCC(C(=O)N3CCCC(C)C3)CC2)ncn1
InChIInChI=1S/C20H28N6O/c1-15-4-3-8-25(13-15)20(27)17-5-9-24(10-6-17)18-12-19(23-14-22-18)26-11-7-21-16(26)2/h7,11-12,14-15,17H,3-6,8-10,13H2,1-2H3
InChIKeyOIYSFXDKMQLQEN-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.45
Rot. Bonds3

About [1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 90520093) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is [1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID90520093
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1nccn1-c1cc(N2CCC(C(=O)N3CCCC(C)C3)CC2)ncn1
InChIInChI=1S/C20H28N6O/c1-15-4-3-8-25(13-15)20(27)17-5-9-24(10-6-17)18-12-19(23-14-22-18)26-11-7-21-16(26)2/h7,11-12,14-15,17H,3-6,8-10,13H2,1-2H3
InChIKeyOIYSFXDKMQLQEN-UHFFFAOYSA-N
XLogP2.45
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopentyl-1-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122338719
(3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 90520604
N-(4-chlorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520063
N-[2-(2-methylimidazol-1-yl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520151
methyl 4-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]benzoate
CID 90520001
[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 121114369
6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 17449663
(3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 48931330
N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519982
4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(2-methylimidazol-1-yl)pyrimidine
CID 122338868
cyclopentyl-[3-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110253502
N-(2-ethylphenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520046

Frequently Asked Questions

What is the IUPAC name of [1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 90520093) is [1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is Cc1nccn1-c1cc(N2CCC(C(=O)N3CCCC(C)C3)CC2)ncn1.
What is the InChIKey of [1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is OIYSFXDKMQLQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15-4-3-8-25(13-15)20(27)17-5-9-24(10-6-17)18-12-19(23-14-22-18)26-11-7-21-16(26)2/h7,11-12,14-15,17H,3-6,8-10,13H2,1-2H3.
What are the key properties of [1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 368.49 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 90520093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).