N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine

C22H25N3O — CID 97229377

IUPACN-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESc1ccc([C@@H](NC2CCN(Cc3cccnc3)CC2)c2ccco2)cc1
InChIInChI=1S/C22H25N3O/c1-2-7-19(8-3-1)22(21-9-5-15-26-21)24-20-10-13-25(14-11-20)17-18-6-4-12-23-16-18/h1-9,12,15-16,20,22,24H,10-11,13-14,17H2/t22-/m1/s1
InChIKeyJLCIWFGDFCYYKU-JOCHJYFZSA-N
MW347.46 g/mol
LogP4.02
Rot. Bonds6

About N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine

N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine (PubChem CID 97229377) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
PubChem CID97229377
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESc1ccc([C@@H](NC2CCN(Cc3cccnc3)CC2)c2ccco2)cc1
InChIInChI=1S/C22H25N3O/c1-2-7-19(8-3-1)22(21-9-5-15-26-21)24-20-10-13-25(14-11-20)17-18-6-4-12-23-16-18/h1-9,12,15-16,20,22,24H,10-11,13-14,17H2/t22-/m1/s1
InChIKeyJLCIWFGDFCYYKU-JOCHJYFZSA-N
XLogP4.02
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 97229376
N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 119109266
N-(1-benzylpiperidin-4-yl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756626
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 124588776
N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 81296842
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 75382521
N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 4040204
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
N-benzhydryl-1-ethylpiperidin-4-amine
CID 3821522
3-[[4-[2-[(1R)-1-phenylethyl]imidazol-1-yl]piperidin-1-yl]methyl]pyridine
CID 95552633
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102

Frequently Asked Questions

What is the IUPAC name of N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine (CID 97229377) is N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine is c1ccc([C@@H](NC2CCN(Cc3cccnc3)CC2)c2ccco2)cc1.
What is the InChIKey of N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The InChIKey is JLCIWFGDFCYYKU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-7-19(8-3-1)22(21-9-5-15-26-21)24-20-10-13-25(14-11-20)17-18-6-4-12-23-16-18/h1-9,12,15-16,20,22,24H,10-11,13-14,17H2/t22-/m1/s1.
What are the key properties of N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine?
N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine has a molecular weight of 347.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 97229377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).