4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one

C19H31N5O — CID 126892652

IUPAC4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one
SMILESCn1ccc(CN2CC(N3CCN(C4CCCCC4)CC3)C2)nc1=O
InChIInChI=1S/C19H31N5O/c1-21-8-7-16(20-19(21)25)13-22-14-18(15-22)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h7-8,17-18H,2-6,9-15H2,1H3
InChIKeyKNHKWWLCRLSCKV-UHFFFAOYSA-N
MW345.49 g/mol
LogP0.91
Rot. Bonds4

About 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one

4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one (PubChem CID 126892652) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one
PubChem CID126892652
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one
SMILESCn1ccc(CN2CC(N3CCN(C4CCCCC4)CC3)C2)nc1=O
InChIInChI=1S/C19H31N5O/c1-21-8-7-16(20-19(21)25)13-22-14-18(15-22)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h7-8,17-18H,2-6,9-15H2,1H3
InChIKeyKNHKWWLCRLSCKV-UHFFFAOYSA-N
XLogP0.91
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one with MolForge

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Related Compounds

1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one
CID 126893933
4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine
CID 126892666
4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one
CID 126890144
2-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126892606
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
2-[(2-methylpyrimidin-4-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79940082
1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine
CID 126892681
1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine
CID 79038510
4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
CID 171700812
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
CID 73387385
2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 79037923

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one?
The IUPAC name of 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one (CID 126892652) is 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one.
What is the SMILES notation for 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one?
The canonical SMILES for 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one is Cn1ccc(CN2CC(N3CCN(C4CCCCC4)CC3)C2)nc1=O.
What is the InChIKey of 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one?
The InChIKey is KNHKWWLCRLSCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-21-8-7-16(20-19(21)25)13-22-14-18(15-22)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h7-8,17-18H,2-6,9-15H2,1H3.
What are the key properties of 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one?
4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one has a molecular weight of 345.49 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one is sourced from PubChem (CID 126892652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).