2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide

C17H24N6O — CID 164635784

IUPAC2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide
SMILESCc1nccc(N2CCC[C@H](CNC(=O)Cn3ccnc3C)C2)n1
InChIInChI=1S/C17H24N6O/c1-13-18-6-5-16(21-13)23-8-3-4-15(11-23)10-20-17(24)12-22-9-7-19-14(22)2/h5-7,9,15H,3-4,8,10-12H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyKMWWVALADMXWKN-OAHLLOKOSA-N
MW328.42 g/mol
LogP1.32
Rot. Bonds5

About 2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide

2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide (PubChem CID 164635784) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide
PubChem CID164635784
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide
SMILESCc1nccc(N2CCC[C@H](CNC(=O)Cn3ccnc3C)C2)n1
InChIInChI=1S/C17H24N6O/c1-13-18-6-5-16(21-13)23-8-3-4-15(11-23)10-20-17(24)12-22-9-7-19-14(22)2/h5-7,9,15H,3-4,8,10-12H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyKMWWVALADMXWKN-OAHLLOKOSA-N
XLogP1.32
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide with MolForge

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Related Compounds

4-(cyclohexylmethylamino)-2-(3-imidazol-1-ylpropylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488991
1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-methyl-2-piperidineacetamide
CID 16116298
2-(2-Methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
CID 54581398
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
2-[4-[[4-(Ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide
CID 50963047
N-[2-(pyrimidin-2-ylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 53502240
1-(3-Imidazol-1-ylpiperidin-1-yl)-3-(pyrimidin-2-ylamino)propan-1-one
CID 53592170
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 53613635
1-(3-Imidazol-1-ylpiperidin-1-yl)-4-(pyrimidin-2-ylamino)butan-1-one
CID 53618214
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53618282
1-(6-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 56764916
1-[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 56779752

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide (CID 164635784) is 2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide is Cc1nccc(N2CCC[C@H](CNC(=O)Cn3ccnc3C)C2)n1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide?
The InChIKey is KMWWVALADMXWKN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-18-6-5-16(21-13)23-8-3-4-15(11-23)10-20-17(24)12-22-9-7-19-14(22)2/h5-7,9,15H,3-4,8,10-12H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide?
2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-N-[[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 164635784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).