3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C22H25N3O2 — CID 126433190

IUPAC3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1ccc(-c2ccc(CCC(=O)N3CCC[C@@H](c4ccn[nH]4)C3)o2)cc1
InChIInChI=1S/C22H25N3O2/c1-16-4-6-17(7-5-16)21-10-8-19(27-21)9-11-22(26)25-14-2-3-18(15-25)20-12-13-23-24-20/h4-8,10,12-13,18H,2-3,9,11,14-15H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyVPSBBPZEJASSRF-GOSISDBHSA-N
MW363.46 g/mol
LogP4.32
Rot. Bonds5

About 3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 126433190) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID126433190
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1ccc(-c2ccc(CCC(=O)N3CCC[C@@H](c4ccn[nH]4)C3)o2)cc1
InChIInChI=1S/C22H25N3O2/c1-16-4-6-17(7-5-16)21-10-8-19(27-21)9-11-22(26)25-14-2-3-18(15-25)20-12-13-23-24-20/h4-8,10,12-13,18H,2-3,9,11,14-15H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyVPSBBPZEJASSRF-GOSISDBHSA-N
XLogP4.32
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110259223
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 129396875
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95845538
3-(1-methylpyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 131929330
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one
CID 95188207
3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95768717
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125012670
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
4-(2-methylimidazol-1-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 95788736
3-imidazol-1-yl-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124966328
1-phenyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butane-1,4-dione
CID 97080910

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 126433190) is 3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is Cc1ccc(-c2ccc(CCC(=O)N3CCC[C@@H](c4ccn[nH]4)C3)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is VPSBBPZEJASSRF-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-4-6-17(7-5-16)21-10-8-19(27-21)9-11-22(26)25-14-2-3-18(15-25)20-12-13-23-24-20/h4-8,10,12-13,18H,2-3,9,11,14-15H2,1H3,(H,23,24)/t18-/m1/s1.
What are the key properties of 3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 363.46 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126433190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).