2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]acetamide

C23H32N4O2 — CID 92633645

IUPAC2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]acetamide
SMILESCOc1ccccc1C[C@@H](C)NC(=O)CC1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C23H32N4O2/c1-16-13-17(2)26-23(25-16)27-11-9-19(10-12-27)15-22(28)24-18(3)14-20-7-5-6-8-21(20)29-4/h5-8,13,18-19H,9-12,14-15H2,1-4H3,(H,24,28)/t18-/m1/s1
InChIKeyDXSOJMWEUVQIHJ-GOSISDBHSA-N
MW396.54 g/mol
LogP3.46
Rot. Bonds7

About 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]acetamide

2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]acetamide (PubChem CID 92633645) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]acetamide
PubChem CID92633645
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]acetamide
SMILESCOc1ccccc1C[C@@H](C)NC(=O)CC1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C23H32N4O2/c1-16-13-17(2)26-23(25-16)27-11-9-19(10-12-27)15-22(28)24-18(3)14-20-7-5-6-8-21(20)29-4/h5-8,13,18-19H,9-12,14-15H2,1-4H3,(H,24,28)/t18-/m1/s1
InChIKeyDXSOJMWEUVQIHJ-GOSISDBHSA-N
XLogP3.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634141
N-[1-(2-methoxyphenyl)propan-2-yl]-3-oxobutanamide
CID 54867173
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 66509632
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910881
N-[1-(2-methoxyphenyl)propan-2-yl]-2-(1-methyl-2-oxo-3H-indol-3-yl)acetamide
CID 16675846
3-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]propanamide
CID 54867469
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62592824
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 56798078
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 63044500
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide
CID 110246294
(3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 95579656

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]acetamide (CID 92633645) is 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]acetamide is COc1ccccc1C[C@@H](C)NC(=O)CC1CCN(c2nc(C)cc(C)n2)CC1.
What is the InChIKey of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]acetamide?
The InChIKey is DXSOJMWEUVQIHJ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16-13-17(2)26-23(25-16)27-11-9-19(10-12-27)15-22(28)24-18(3)14-20-7-5-6-8-21(20)29-4/h5-8,13,18-19H,9-12,14-15H2,1-4H3,(H,24,28)/t18-/m1/s1.
What are the key properties of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]acetamide?
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]acetamide has a molecular weight of 396.54 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 92633645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).