[4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

C21H26N2O3 — CID 42382175

IUPAC[4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(OC2CCN(Cc3ccoc3)CC2)cc1)N1CCCC1
InChIInChI=1S/C21H26N2O3/c24-21(23-10-1-2-11-23)18-3-5-19(6-4-18)26-20-7-12-22(13-8-20)15-17-9-14-25-16-17/h3-6,9,14,16,20H,1-2,7-8,10-13,15H2
InChIKeyNHMVKNMSNIWZRL-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.56
Rot. Bonds5

About [4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

[4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 42382175) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID42382175
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(OC2CCN(Cc3ccoc3)CC2)cc1)N1CCCC1
InChIInChI=1S/C21H26N2O3/c24-21(23-10-1-2-11-23)18-3-5-19(6-4-18)26-20-7-12-22(13-8-20)15-17-9-14-25-16-17/h3-6,9,14,16,20H,1-2,7-8,10-13,15H2
InChIKeyNHMVKNMSNIWZRL-UHFFFAOYSA-N
XLogP3.56
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 24790458
[4-[1-(3-phenylpropyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
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[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42512447
[4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24791134
(4-cyclobutyloxyphenyl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 136528671
[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24792029
[4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25446255
[4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42242129
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25372785
[4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72874168

Frequently Asked Questions

What is the IUPAC name of [4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (CID 42382175) is [4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(OC2CCN(Cc3ccoc3)CC2)cc1)N1CCCC1.
What is the InChIKey of [4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is NHMVKNMSNIWZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-21(23-10-1-2-11-23)18-3-5-19(6-4-18)26-20-7-12-22(13-8-20)15-17-9-14-25-16-17/h3-6,9,14,16,20H,1-2,7-8,10-13,15H2.
What are the key properties of [4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
[4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 354.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42382175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).