1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one

C21H28N4O — CID 92638098

IUPAC1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCNc1cc(CC2CCN(C(=O)CCc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C21H28N4O/c1-16-23-19(15-20(22-2)24-16)14-18-10-12-25(13-11-18)21(26)9-8-17-6-4-3-5-7-17/h3-7,15,18H,8-14H2,1-2H3,(H,22,23,24)
InChIKeyFFABTKQVOQMOHO-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.24
Rot. Bonds6

About 1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one

1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 92638098) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID92638098
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCNc1cc(CC2CCN(C(=O)CCc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C21H28N4O/c1-16-23-19(15-20(22-2)24-16)14-18-10-12-25(13-11-18)21(26)9-8-17-6-4-3-5-7-17/h3-7,15,18H,8-14H2,1-2H3,(H,22,23,24)
InChIKeyFFABTKQVOQMOHO-UHFFFAOYSA-N
XLogP3.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one with MolForge

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Related Compounds

1-[3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 133472372
1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
CID 133342486
1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone
CID 133342559
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119260619
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
1-(5-methyl-1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 82244369
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95829780
1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 67753529
4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 3940989
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
3-phenyl-1-[4-[2-(triazol-2-yl)ethyl]piperidin-1-yl]propan-1-one
CID 67619627

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one (CID 92638098) is 1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one is CNc1cc(CC2CCN(C(=O)CCc3ccccc3)CC2)nc(C)n1.
What is the InChIKey of 1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is FFABTKQVOQMOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16-23-19(15-20(22-2)24-16)14-18-10-12-25(13-11-18)21(26)9-8-17-6-4-3-5-7-17/h3-7,15,18H,8-14H2,1-2H3,(H,22,23,24).
What are the key properties of 1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 352.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 92638098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).