1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one

C18H24N4O — CID 95310251

IUPAC1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
SMILESCc1nccn1[C@@H]1CCCN(C(=O)CCCc2ccccn2)C1
InChIInChI=1S/C18H24N4O/c1-15-19-11-13-22(15)17-8-5-12-21(14-17)18(23)9-4-7-16-6-2-3-10-20-16/h2-3,6,10-11,13,17H,4-5,7-9,12,14H2,1H3/t17-/m1/s1
InChIKeyUYGGTKUWWASNHD-QGZVFWFLSA-N
MW312.42 g/mol
LogP2.77
Rot. Bonds5

About 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one

1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one (PubChem CID 95310251) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
PubChem CID95310251
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
SMILESCc1nccn1[C@@H]1CCCN(C(=O)CCCc2ccccn2)C1
InChIInChI=1S/C18H24N4O/c1-15-19-11-13-22(15)17-8-5-12-21(14-17)18(23)9-4-7-16-6-2-3-10-20-16/h2-3,6,10-11,13,17H,4-5,7-9,12,14H2,1H3/t17-/m1/s1
InChIKeyUYGGTKUWWASNHD-QGZVFWFLSA-N
XLogP2.77
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95160540
1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95609115
3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95323599
4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one
CID 95340546
3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95327617
1-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95777800
(3S)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 95336243
2-ethylsulfonyl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95350950
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95349356
2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95349017
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95338418
1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 95346856

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one?
The IUPAC name of 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one (CID 95310251) is 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one?
The canonical SMILES for 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one is Cc1nccn1[C@@H]1CCCN(C(=O)CCCc2ccccn2)C1.
What is the InChIKey of 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one?
The InChIKey is UYGGTKUWWASNHD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N4O/c1-15-19-11-13-22(15)17-8-5-12-21(14-17)18(23)9-4-7-16-6-2-3-10-20-16/h2-3,6,10-11,13,17H,4-5,7-9,12,14H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one?
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one has a molecular weight of 312.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 95310251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).