1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]

C24H24N2O — CID 44561300

IUPAC1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc(-c2cccc(CN3CCC4(CC3)OCc3ccccc34)c2)nc1
InChIInChI=1S/C24H24N2O/c1-2-9-22-21(7-1)18-27-24(22)11-14-26(15-12-24)17-19-6-5-8-20(16-19)23-10-3-4-13-25-23/h1-10,13,16H,11-12,14-15,17-18H2
InChIKeyZKBHALUUDNBLKS-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.77
Rot. Bonds3

About 1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]

1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 44561300) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID44561300
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc(-c2cccc(CN3CCC4(CC3)OCc3ccccc34)c2)nc1
InChIInChI=1S/C24H24N2O/c1-2-9-22-21(7-1)18-27-24(22)11-14-26(15-12-24)17-19-6-5-8-20(16-19)23-10-3-4-13-25-23/h1-10,13,16H,11-12,14-15,17-18H2
InChIKeyZKBHALUUDNBLKS-UHFFFAOYSA-N
XLogP4.77
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Doxylamine
CID 3162
Siramesine
CID 9829526
1''-[4-(1-benzyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 9889994
1'-[4-(1-pyridin-4-ylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 9980526
4-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10073546
5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10322581
1-[3-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)indol-1-yl]ethanone
CID 10341071
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
1''-[4-(1-methylsulfonyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10365874
1''-[4-(1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10473699
(NZ)-N-[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]hydroxylamine
CID 24762415
(Z)-1-(3,4-difluorophenyl)-1-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]-N-methoxymethanimine
CID 45487668

Frequently Asked Questions

What is the IUPAC name of 1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 44561300) is 1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is c1ccc(-c2cccc(CN3CCC4(CC3)OCc3ccccc34)c2)nc1.
What is the InChIKey of 1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is ZKBHALUUDNBLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-2-9-22-21(7-1)18-27-24(22)11-14-26(15-12-24)17-19-6-5-8-20(16-19)23-10-3-4-13-25-23/h1-10,13,16H,11-12,14-15,17-18H2.
What are the key properties of 1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 356.47 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 44561300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).