[5-[[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-3-ylmethyl)amino]ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol

C27H35N3O3 — CID 126465797

IUPAC[5-[[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-3-ylmethyl)amino]ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol
SMILESCOc1cccc(CC(C2CCN(Cc3ccc(CO)o3)CC2)N(C)Cc2cccnc2)c1
InChIInChI=1S/C27H35N3O3/c1-29(18-22-6-4-12-28-17-22)27(16-21-5-3-7-24(15-21)32-2)23-10-13-30(14-11-23)19-25-8-9-26(20-31)33-25/h3-9,12,15,17,23,27,31H,10-11,13-14,16,18-20H2,1-2H3
InChIKeyKWMQZLMZASWVEZ-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.13
Rot. Bonds10

About [5-[[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-3-ylmethyl)amino]ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol

[5-[[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-3-ylmethyl)amino]ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol (PubChem CID 126465797) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is [5-[[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-3-ylmethyl)amino]ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-3-ylmethyl)amino]ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol
PubChem CID126465797
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC Name[5-[[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-3-ylmethyl)amino]ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol
SMILESCOc1cccc(CC(C2CCN(Cc3ccc(CO)o3)CC2)N(C)Cc2cccnc2)c1
InChIInChI=1S/C27H35N3O3/c1-29(18-22-6-4-12-28-17-22)27(16-21-5-3-7-24(15-21)32-2)23-10-13-30(14-11-23)19-25-8-9-26(20-31)33-25/h3-9,12,15,17,23,27,31H,10-11,13-14,16,18-20H2,1-2H3
InChIKeyKWMQZLMZASWVEZ-UHFFFAOYSA-N
XLogP4.13
TPSA61.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-(3-methoxyphenyl)-1-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42213471
1-[4-[(1S)-2-(3-methoxyphenyl)-1-[methyl(pyridin-2-ylmethyl)amino]ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 42277013
1-[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-2-ylmethyl)amino]ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 45196977
N-[2-(3-methoxyphenyl)-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethyl]-N-methylpyridine-2-carboxamide
CID 45177058
[4-[(1S)-2-(3-methoxyphenyl)-1-[methyl(pyridin-2-ylmethyl)amino]ethyl]piperidin-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 42484384
2-(2-chlorophenoxy)-1-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]ethanone
CID 42407046
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073
N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 42378840
N-[(1R)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 42482993
N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 26281727
1-[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 128999142
N-[1-[1-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 45189719

Frequently Asked Questions

What is the IUPAC name of [5-[[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-3-ylmethyl)amino]ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-3-ylmethyl)amino]ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol (CID 126465797) is [5-[[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-3-ylmethyl)amino]ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-3-ylmethyl)amino]ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-3-ylmethyl)amino]ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol is COc1cccc(CC(C2CCN(Cc3ccc(CO)o3)CC2)N(C)Cc2cccnc2)c1.
What is the InChIKey of [5-[[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-3-ylmethyl)amino]ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol?
The InChIKey is KWMQZLMZASWVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-29(18-22-6-4-12-28-17-22)27(16-21-5-3-7-24(15-21)32-2)23-10-13-30(14-11-23)19-25-8-9-26(20-31)33-25/h3-9,12,15,17,23,27,31H,10-11,13-14,16,18-20H2,1-2H3.
What are the key properties of [5-[[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-3-ylmethyl)amino]ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol?
[5-[[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-3-ylmethyl)amino]ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol has a molecular weight of 449.60 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-3-ylmethyl)amino]ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 126465797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).