1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one

C22H28N4O2 — CID 46963062

IUPAC1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one
SMILESCOc1ccc(-c2ncc(CN3CCN(C4CCCCC4)C(=O)C3)cn2)cc1
InChIInChI=1S/C22H28N4O2/c1-28-20-9-7-18(8-10-20)22-23-13-17(14-24-22)15-25-11-12-26(21(27)16-25)19-5-3-2-4-6-19/h7-10,13-14,19H,2-6,11-12,15-16H2,1H3
InChIKeySNCBXNKEODRFBP-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.13
Rot. Bonds5

About 1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one

1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one (PubChem CID 46963062) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one
PubChem CID46963062
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one
SMILESCOc1ccc(-c2ncc(CN3CCN(C4CCCCC4)C(=O)C3)cn2)cc1
InChIInChI=1S/C22H28N4O2/c1-28-20-9-7-18(8-10-20)22-23-13-17(14-24-22)15-25-11-12-26(21(27)16-25)19-5-3-2-4-6-19/h7-10,13-14,19H,2-6,11-12,15-16H2,1H3
InChIKeySNCBXNKEODRFBP-UHFFFAOYSA-N
XLogP3.13
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 42455514
1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one
CID 46981106
1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]azepan-4-amine
CID 74232657
1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one
CID 50952577
2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine
CID 74250827
ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate
CID 91776475
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one
CID 134794419
1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one
CID 46981248
4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 70739233
N-ethyl-N-[[(3R)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]methyl]ethanamine
CID 92590963
1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one
CID 46981331
[(3R)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 42122412

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one?
The IUPAC name of 1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one (CID 46963062) is 1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one is COc1ccc(-c2ncc(CN3CCN(C4CCCCC4)C(=O)C3)cn2)cc1.
What is the InChIKey of 1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one?
The InChIKey is SNCBXNKEODRFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-28-20-9-7-18(8-10-20)22-23-13-17(14-24-22)15-25-11-12-26(21(27)16-25)19-5-3-2-4-6-19/h7-10,13-14,19H,2-6,11-12,15-16H2,1H3.
What are the key properties of 1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one?
1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one is sourced from PubChem (CID 46963062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).