[4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

C25H34N2O3 — CID 25446255

IUPAC[4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc([C@H](C)CCN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)o1
InChIInChI=1S/C25H34N2O3/c1-19(24-10-5-20(2)29-24)11-16-26-17-12-23(13-18-26)30-22-8-6-21(7-9-22)25(28)27-14-3-4-15-27/h5-10,19,23H,3-4,11-18H2,1-2H3/t19-/m1/s1
InChIKeyCNXZVMATBICWJT-LJQANCHMSA-N
MW410.56 g/mol
LogP4.86
Rot. Bonds7

About [4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

[4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 25446255) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is [4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID25446255
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name[4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc([C@H](C)CCN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)o1
InChIInChI=1S/C25H34N2O3/c1-19(24-10-5-20(2)29-24)11-16-26-17-12-23(13-18-26)30-22-8-6-21(7-9-22)25(28)27-14-3-4-15-27/h5-10,19,23H,3-4,11-18H2,1-2H3/t19-/m1/s1
InChIKeyCNXZVMATBICWJT-LJQANCHMSA-N
XLogP4.86
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25372785
1-[3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxamide
CID 44828082
[4-[1-(3-phenylpropyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24793060
[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42512447
[4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42382175
[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
[4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72874168
[4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24791134
[4-[3-(5-methylfuran-2-yl)butyl]-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 134706799
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 45218567
[4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42242129

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (CID 25446255) is [4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is Cc1ccc([C@H](C)CCN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)o1.
What is the InChIKey of [4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is CNXZVMATBICWJT-LJQANCHMSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-19(24-10-5-20(2)29-24)11-16-26-17-12-23(13-18-26)30-22-8-6-21(7-9-22)25(28)27-14-3-4-15-27/h5-10,19,23H,3-4,11-18H2,1-2H3/t19-/m1/s1.
What are the key properties of [4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
[4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 410.56 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 25446255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).