[4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone

C23H24N2O3 — CID 25275365

IUPAC[4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
SMILESCOc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(-c4ccco4)cc3)C2)cc1
InChIInChI=1S/C23H24N2O3/c1-27-21-12-10-19(11-13-21)24-20-4-2-14-25(16-20)23(26)18-8-6-17(7-9-18)22-5-3-15-28-22/h3,5-13,15,20,24H,2,4,14,16H2,1H3/t20-/m1/s1
InChIKeyRGGOWBVBHZPPLO-HXUWFJFHSA-N
MW376.46 g/mol
LogP4.67
Rot. Bonds5

About [4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone

[4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone (PubChem CID 25275365) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
PubChem CID25275365
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
SMILESCOc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(-c4ccco4)cc3)C2)cc1
InChIInChI=1S/C23H24N2O3/c1-27-21-12-10-19(11-13-21)24-20-4-2-14-25(16-20)23(26)18-8-6-17(7-9-18)22-5-3-15-28-22/h3,5-13,15,20,24H,2,4,14,16H2,1H3/t20-/m1/s1
InChIKeyRGGOWBVBHZPPLO-HXUWFJFHSA-N
XLogP4.67
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[3-(4-methoxyanilino)piperidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 45204907
(4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 25279248
tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate
CID 168527057
1-benzofuran-2-yl-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 42532487
N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide
CID 45172863
methyl 4-[(3R)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]benzoate
CID 25275922
1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 95724781
N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide
CID 95727361
[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 42461601
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
1-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-2-phenylsulfanylethanone
CID 42101235
3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 24793036

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone?
The IUPAC name of [4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone (CID 25275365) is [4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone?
The canonical SMILES for [4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone is COc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(-c4ccco4)cc3)C2)cc1.
What is the InChIKey of [4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone?
The InChIKey is RGGOWBVBHZPPLO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-21-12-10-19(11-13-21)24-20-4-2-14-25(16-20)23(26)18-8-6-17(7-9-18)22-5-3-15-28-22/h3,5-13,15,20,24H,2,4,14,16H2,1H3/t20-/m1/s1.
What are the key properties of [4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone?
[4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 25275365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).