(4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone

C19H24FN3O — CID 72881750

IUPAC(4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3nccn3C(C)C)C2)ccc1F
InChIInChI=1S/C19H24FN3O/c1-13(2)23-10-8-21-18(23)16-5-4-9-22(12-16)19(24)15-6-7-17(20)14(3)11-15/h6-8,10-11,13,16H,4-5,9,12H2,1-3H3
InChIKeyHGXILKPUONXTER-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.93
Rot. Bonds3

About (4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone

(4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 72881750) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID72881750
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name(4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3nccn3C(C)C)C2)ccc1F
InChIInChI=1S/C19H24FN3O/c1-13(2)23-10-8-21-18(23)16-5-4-9-22(12-16)19(24)15-6-7-17(20)14(3)11-15/h6-8,10-11,13,16H,4-5,9,12H2,1-3H3
InChIKeyHGXILKPUONXTER-UHFFFAOYSA-N
XLogP3.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 72881956
[3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97281209
(2-hydroxy-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97272457
(2-chloro-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97198650
(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97199326
(5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97196379
5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72897928
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97189613
5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 97281034
6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 77096988
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97187963
8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 72845717

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone (CID 72881750) is (4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(c3nccn3C(C)C)C2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is HGXILKPUONXTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-13(2)23-10-8-21-18(23)16-5-4-9-22(12-16)19(24)15-6-7-17(20)14(3)11-15/h6-8,10-11,13,16H,4-5,9,12H2,1-3H3.
What are the key properties of (4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
(4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 329.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 72881750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).