(1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone

C20H27N3O2 — CID 146131215

IUPAC(1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
SMILESCCC(C)n1nc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1C
InChIInChI=1S/C20H27N3O2/c1-4-14(2)23-15(3)13-19(21-23)20(25)22-11-9-17(10-12-22)16-5-7-18(24)8-6-16/h5-8,13-14,17,24H,4,9-12H2,1-3H3
InChIKeyUSDHTJAYFJRSFM-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.89
Rot. Bonds4

About (1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone

(1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone (PubChem CID 146131215) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
PubChem CID146131215
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
SMILESCCC(C)n1nc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1C
InChIInChI=1S/C20H27N3O2/c1-4-14(2)23-15(3)13-19(21-23)20(25)22-11-9-17(10-12-22)16-5-7-18(24)8-6-16/h5-8,13-14,17,24H,4,9-12H2,1-3H3
InChIKeyUSDHTJAYFJRSFM-UHFFFAOYSA-N
XLogP3.89
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 51327441
2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one
CID 51327458
3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one
CID 119700717
[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 51327506
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 115593371
(3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 146086308
2-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481433
(1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 42656730
N-[2-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 60712509
[4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride
CID 119518635
(4-bromo-2,5-dimethylfuran-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 78862494
[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 51327321

Frequently Asked Questions

What is the IUPAC name of (1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of (1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone (CID 146131215) is (1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone is CCC(C)n1nc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1C.
What is the InChIKey of (1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
The InChIKey is USDHTJAYFJRSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-14(2)23-15(3)13-19(21-23)20(25)22-11-9-17(10-12-22)16-5-7-18(24)8-6-16/h5-8,13-14,17,24H,4,9-12H2,1-3H3.
What are the key properties of (1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
(1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone has a molecular weight of 341.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 146131215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).