furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone

C22H23N3O2 — CID 97321950

IUPACfuran-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(N[C@H](c2ccccc2)c2ccncc2)CC1
InChIInChI=1S/C22H23N3O2/c26-22(19-10-15-27-16-19)25-13-8-20(9-14-25)24-21(17-4-2-1-3-5-17)18-6-11-23-12-7-18/h1-7,10-12,15-16,20-21,24H,8-9,13-14H2/t21-/m1/s1
InChIKeyXOFUTPNABFQAIS-OAQYLSRUSA-N
MW361.44 g/mol
LogP3.66
Rot. Bonds5

About furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone

furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone (PubChem CID 97321950) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone
PubChem CID97321950
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Namefuran-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(N[C@H](c2ccccc2)c2ccncc2)CC1
InChIInChI=1S/C22H23N3O2/c26-22(19-10-15-27-16-19)25-13-8-20(9-14-25)24-21(17-4-2-1-3-5-17)18-6-11-23-12-7-18/h1-7,10-12,15-16,20-21,24H,8-9,13-14H2/t21-/m1/s1
InChIKeyXOFUTPNABFQAIS-OAQYLSRUSA-N
XLogP3.66
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 97081115
3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119702922
2-(2-chlorophenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38210187
furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone
CID 97231970
furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone
CID 99700469
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide
CID 134048628
(2R)-2-methoxy-2-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 52512778
furan-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048919
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108556851
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 34955258

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone (CID 97321950) is furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone is O=C(c1ccoc1)N1CCC(N[C@H](c2ccccc2)c2ccncc2)CC1.
What is the InChIKey of furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone?
The InChIKey is XOFUTPNABFQAIS-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(19-10-15-27-16-19)25-13-8-20(9-14-25)24-21(17-4-2-1-3-5-17)18-6-11-23-12-7-18/h1-7,10-12,15-16,20-21,24H,8-9,13-14H2/t21-/m1/s1.
What are the key properties of furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone?
furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone has a molecular weight of 361.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 97321950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).