4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one

C17H23N7O — CID 133464269

IUPAC4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(N3CCC(n4ccnc4)CC3)ncn2)CC1=O
InChIInChI=1S/C17H23N7O/c1-21-8-9-23(11-17(21)25)16-10-15(19-12-20-16)22-5-2-14(3-6-22)24-7-4-18-13-24/h4,7,10,12-14H,2-3,5-6,8-9,11H2,1H3
InChIKeyPPJPEVKGLFHOPR-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.79
Rot. Bonds3

About 4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one

4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 133464269) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
PubChem CID133464269
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(N3CCC(n4ccnc4)CC3)ncn2)CC1=O
InChIInChI=1S/C17H23N7O/c1-21-8-9-23(11-17(21)25)16-10-15(19-12-20-16)22-5-2-14(3-6-22)24-7-4-18-13-24/h4,7,10,12-14H,2-3,5-6,8-9,11H2,1H3
InChIKeyPPJPEVKGLFHOPR-UHFFFAOYSA-N
XLogP0.79
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464424
1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one
CID 133492404
4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 166223108
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
2-(4-imidazol-1-ylpiperidin-1-yl)pyridine
CID 56788029
4-[6-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 138033398
1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 122051078
1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one
CID 133464428
2-(4-imidazol-1-ylpiperidin-1-yl)pyrazine
CID 133301086
4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464582
1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133492295
2-[1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidin-3-yl]acetamide
CID 133490381

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one (CID 133464269) is 4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one is CN1CCN(c2cc(N3CCC(n4ccnc4)CC3)ncn2)CC1=O.
What is the InChIKey of 4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is PPJPEVKGLFHOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-21-8-9-23(11-17(21)25)16-10-15(19-12-20-16)22-5-2-14(3-6-22)24-7-4-18-13-24/h4,7,10,12-14H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of 4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one?
4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 341.42 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 133464269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).