cyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone

C22H28N4O2 — CID 83287920

IUPACcyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1cccc(Oc2cc(N3CCN(C(=O)C4CCCC4)C(C)C3)ncn2)c1
InChIInChI=1S/C22H28N4O2/c1-16-6-5-9-19(12-16)28-21-13-20(23-15-24-21)25-10-11-26(17(2)14-25)22(27)18-7-3-4-8-18/h5-6,9,12-13,15,17-18H,3-4,7-8,10-11,14H2,1-2H3
InChIKeyWVZAEKMTBPDPFE-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.80
Rot. Bonds4

About cyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone

cyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 83287920) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is cyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID83287920
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Namecyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1cccc(Oc2cc(N3CCN(C(=O)C4CCCC4)C(C)C3)ncn2)c1
InChIInChI=1S/C22H28N4O2/c1-16-6-5-9-19(12-16)28-21-13-20(23-15-24-21)25-10-11-26(17(2)14-25)22(27)18-7-3-4-8-18/h5-6,9,12-13,15,17-18H,3-4,7-8,10-11,14H2,1-2H3
InChIKeyWVZAEKMTBPDPFE-UHFFFAOYSA-N
XLogP3.80
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl-[(2S)-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone
CID 93340767
cyclobutyl-[(2S)-2-methyl-4-[6-(2-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 93340681
1-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 83287924
3-cyclopentyl-1-[(2S)-4-[6-(3-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-1-one
CID 93296835
ethyl 1-[6-(3-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42872770
cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
CID 71682493
1-[(2R)-4-[6-(3-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]butan-1-one
CID 93296671
[(2S)-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 93340769
4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
CID 83287949
1-[(2S)-4-[6-(3-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 93296494
N-ethyl-4-[6-(3-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide
CID 83282349
1-[(2S)-2-methyl-4-(6-phenoxypyrimidin-4-yl)piperazin-1-yl]pentan-1-one
CID 93295764

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 83287920) is cyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1cccc(Oc2cc(N3CCN(C(=O)C4CCCC4)C(C)C3)ncn2)c1.
What is the InChIKey of cyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is WVZAEKMTBPDPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-6-5-9-19(12-16)28-21-13-20(23-15-24-21)25-10-11-26(17(2)14-25)22(27)18-7-3-4-8-18/h5-6,9,12-13,15,17-18H,3-4,7-8,10-11,14H2,1-2H3.
What are the key properties of cyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
cyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 380.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 83287920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).