1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one

C17H22N4O2 — CID 95606434

IUPAC1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one
SMILESCc1nccn1[C@H]1CCCN(C(=O)c2ccc(C)n(C)c2=O)C1
InChIInChI=1S/C17H22N4O2/c1-12-6-7-15(16(22)19(12)3)17(23)20-9-4-5-14(11-20)21-10-8-18-13(21)2/h6-8,10,14H,4-5,9,11H2,1-3H3/t14-/m0/s1
InChIKeyFWAOJRRBNDKQNM-AWEZNQCLSA-N
MW314.39 g/mol
LogP1.68
Rot. Bonds2

About 1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one

1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 95606434) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one
PubChem CID95606434
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one
SMILESCc1nccn1[C@H]1CCCN(C(=O)c2ccc(C)n(C)c2=O)C1
InChIInChI=1S/C17H22N4O2/c1-12-6-7-15(16(22)19(12)3)17(23)20-9-4-5-14(11-20)21-10-8-18-13(21)2/h6-8,10,14H,4-5,9,11H2,1-3H3/t14-/m0/s1
InChIKeyFWAOJRRBNDKQNM-AWEZNQCLSA-N
XLogP1.68
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95283135
(2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95326513
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95335579
3-methyl-1-[2-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95606427
[6-(dimethylamino)-3-pyridinyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343515
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 95332115
[4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343180
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95340408
1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95335476
imidazo[1,2-a]pyridin-2-yl-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95342530
2-ethylsulfonyl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95350950
2-[3-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]acetonitrile
CID 95736264

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one (CID 95606434) is 1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one is Cc1nccn1[C@H]1CCCN(C(=O)c2ccc(C)n(C)c2=O)C1.
What is the InChIKey of 1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is FWAOJRRBNDKQNM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-6-7-15(16(22)19(12)3)17(23)20-9-4-5-14(11-20)21-10-8-18-13(21)2/h6-8,10,14H,4-5,9,11H2,1-3H3/t14-/m0/s1.
What are the key properties of 1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one?
1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 95606434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).