1-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C16H25N3O3 — CID 4141188

IUPAC1-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOc1cc(OC)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)15(20)19-8-6-11(7-9-19)14-17-12(21-4)10-13(18-14)22-5/h10-11H,6-9H2,1-5H3
InChIKeyUACQMSYWDIGPMR-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.25
Rot. Bonds3

About 1-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 4141188) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID4141188
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOc1cc(OC)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)15(20)19-8-6-11(7-9-19)14-17-12(21-4)10-13(18-14)22-5/h10-11H,6-9H2,1-5H3
InChIKeyUACQMSYWDIGPMR-UHFFFAOYSA-N
XLogP2.25
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Dimethoxy-2-piperidin-1-ylpyrimidine
CID 90342172
4,6-Dimethoxy-2-piperidin-4-ylpyrimidine
CID 2761142
US10030012, Example 37
CID 78318999
2-Methyl-1-(4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl)propan-1-one
CID 42473321
2-(4,6-Dimethoxy-2-pyrimidinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 70751856
[(3S)-1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95563465
4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine
CID 97436266
(4S)-1-(4,6-dimethoxypyrimidin-2-yl)-4-ethylazepane
CID 164640513
4,6-Dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]pyrimidine
CID 4610746
4,6-Dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 155974214
4-[4-(4,4-Difluoropiperidine-1-carbonyl)piperidin-1-yl]-6-methoxypyrimidine
CID 155975858
2-[4-(4,4-Difluoropiperidine-1-carbonyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 155976053

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 4141188) is 1-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is COc1cc(OC)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1.
What is the InChIKey of 1-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is UACQMSYWDIGPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)15(20)19-8-6-11(7-9-19)14-17-12(21-4)10-13(18-14)22-5/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 307.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 4141188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).