[3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone

C27H31N3O3 — CID 24817495

IUPAC[3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)CC1
InChIInChI=1S/C27H31N3O3/c1-32-26-11-3-2-10-24(26)29-16-14-28(15-17-29)23-9-5-13-30(20-23)27(31)22-8-4-7-21(19-22)25-12-6-18-33-25/h2-4,6-8,10-12,18-19,23H,5,9,13-17,20H2,1H3
InChIKeyJYWQBPSESWPLSC-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.38
Rot. Bonds5

About [3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone

[3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 24817495) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is [3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID24817495
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name[3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)CC1
InChIInChI=1S/C27H31N3O3/c1-32-26-11-3-2-10-24(26)29-16-14-28(15-17-29)23-9-5-13-30(20-23)27(31)22-8-4-7-21(19-22)25-12-6-18-33-25/h2-4,6-8,10-12,18-19,23H,5,9,13-17,20H2,1H3
InChIKeyJYWQBPSESWPLSC-UHFFFAOYSA-N
XLogP4.38
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of [3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 24817495) is [3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone is COc1ccccc1N1CCN(C2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)CC1.
What is the InChIKey of [3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is JYWQBPSESWPLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-32-26-11-3-2-10-24(26)29-16-14-28(15-17-29)23-9-5-13-30(20-23)27(31)22-8-4-7-21(19-22)25-12-6-18-33-25/h2-4,6-8,10-12,18-19,23H,5,9,13-17,20H2,1H3.
What are the key properties of [3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
[3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 445.56 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 24817495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).