1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone

C16H21N5O2 — CID 125014709

IUPAC1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@H](c2cc(-c3ncc[nH]3)nc(C)n2)C1
InChIInChI=1S/C16H21N5O2/c1-11-19-13(8-14(20-11)16-17-5-6-18-16)12-4-3-7-21(9-12)15(22)10-23-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyWOJWZFJQPIRQSP-LBPRGKRZSA-N
MW315.38 g/mol
LogP1.53
Rot. Bonds4

About 1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone

1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 125014709) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
PubChem CID125014709
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@H](c2cc(-c3ncc[nH]3)nc(C)n2)C1
InChIInChI=1S/C16H21N5O2/c1-11-19-13(8-14(20-11)16-17-5-6-18-16)12-4-3-7-21(9-12)15(22)10-23-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyWOJWZFJQPIRQSP-LBPRGKRZSA-N
XLogP1.53
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 124949020
[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110131923
[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 125022364
5-[6-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110133778
1-[3-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110099625
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
2-(4-fluorophenyl)-1-[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110110349
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124993641
2-methoxy-1-[(3R)-3-[2-methyl-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124969001
2-hydroxy-1-[(3R)-3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 124950305
1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95845771

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone (CID 125014709) is 1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC[C@H](c2cc(-c3ncc[nH]3)nc(C)n2)C1.
What is the InChIKey of 1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is WOJWZFJQPIRQSP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-19-13(8-14(20-11)16-17-5-6-18-16)12-4-3-7-21(9-12)15(22)10-23-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone?
1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 315.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 125014709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).