2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide

C16H22N6O3 — CID 72919642

IUPAC2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide
SMILESCOc1cc(OC)nc(N2CCC(c3nccn3CC(N)=O)CC2)n1
InChIInChI=1S/C16H22N6O3/c1-24-13-9-14(25-2)20-16(19-13)21-6-3-11(4-7-21)15-18-5-8-22(15)10-12(17)23/h5,8-9,11H,3-4,6-7,10H2,1-2H3,(H2,17,23)
InChIKeyIZRFFRJRZWQVHP-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.56
Rot. Bonds6

About 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide

2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide (PubChem CID 72919642) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide
PubChem CID72919642
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide
SMILESCOc1cc(OC)nc(N2CCC(c3nccn3CC(N)=O)CC2)n1
InChIInChI=1S/C16H22N6O3/c1-24-13-9-14(25-2)20-16(19-13)21-6-3-11(4-7-21)15-18-5-8-22(15)10-12(17)23/h5,8-9,11H,3-4,6-7,10H2,1-2H3,(H2,17,23)
InChIKeyIZRFFRJRZWQVHP-UHFFFAOYSA-N
XLogP0.56
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72868172
2-[2-[1-(2-propoxyethyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72891987
2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72913616
2-[2-(1-quinolin-2-ylpiperidin-4-yl)imidazol-1-yl]acetamide
CID 72938350
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942
2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276088
2-[2-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282167
2-[2-[(3R)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282168
2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide
CID 72938584
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
2-(2-cyclopropylimidazol-1-yl)acetic acid
CID 82560357
2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 72878965

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide (CID 72919642) is 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide is COc1cc(OC)nc(N2CCC(c3nccn3CC(N)=O)CC2)n1.
What is the InChIKey of 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide?
The InChIKey is IZRFFRJRZWQVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-24-13-9-14(25-2)20-16(19-13)21-6-3-11(4-7-21)15-18-5-8-22(15)10-12(17)23/h5,8-9,11H,3-4,6-7,10H2,1-2H3,(H2,17,23).
What are the key properties of 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide?
2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72919642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).