[3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone

C25H29N3O2 — CID 10692539

IUPAC[3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(CN2CCN(c3ccc4ccoc4c3)CC2)c1)N1CCCCC1
InChIInChI=1S/C25H29N3O2/c29-25(28-10-2-1-3-11-28)22-6-4-5-20(17-22)19-26-12-14-27(15-13-26)23-8-7-21-9-16-30-24(21)18-23/h4-9,16-18H,1-3,10-15,19H2
InChIKeyQTWVKTIFVJAWQC-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.38
Rot. Bonds4

About [3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone

[3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 10692539) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is [3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID10692539
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name[3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(CN2CCN(c3ccc4ccoc4c3)CC2)c1)N1CCCCC1
InChIInChI=1S/C25H29N3O2/c29-25(28-10-2-1-3-11-28)22-6-4-5-20(17-22)19-26-12-14-27(15-13-26)23-8-7-21-9-16-30-24(21)18-23/h4-9,16-18H,1-3,10-15,19H2
InChIKeyQTWVKTIFVJAWQC-UHFFFAOYSA-N
XLogP4.38
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

Befiperide
CID 182859
1-Benzofuran-7-yl-4-biphenyl-3-ylmethyl-piperazine
CID 44315568
N-(3-dibenzofuranyl)-4-morpholinecarboxamide
CID 650073
N-Dibenzofuran-3-yl-3-methyl-butyramide
CID 2913552
(5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 11508279
1-(4-Fluorophenyl)-4-{1-[3-(2-furyl)benzoyl]-3-piperidinyl}piperazine
CID 24817148
N-{(S)-1-[2-(4-Phenyl-butyl)-benzofuran-4-yl]-pyrrolidin-3-yl}-acetamide
CID 44394532
N-{(S)-1-[2-(4-Phenyl-butyl)-benzofuran-4-yl]-pyrrolidin-3-yl}-propionamide
CID 44394535
N,N-diethyl-4-((1-(2-(furan-2-yl)ethyl)piperidin-4-yl)(3-methoxyphenyl)amino)benzamide
CID 45485974
N,N-diethyl-4-((1-(2-(furan-3-yl)ethyl)piperidin-4-yl)(3-methoxyphenyl)amino)benzamide
CID 45485982
2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxo-1H-quinolin-8-yl)dibenzofuran-1-yl]acetamide
CID 49856324
[4-[4-(2-Chlorobenzoyl)piperazin-1-yl]phenyl]-[6-(diethylamino)-1-benzofuran-2-yl]methanone
CID 127051131

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone (CID 10692539) is [3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone is O=C(c1cccc(CN2CCN(c3ccc4ccoc4c3)CC2)c1)N1CCCCC1.
What is the InChIKey of [3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is QTWVKTIFVJAWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c29-25(28-10-2-1-3-11-28)22-6-4-5-20(17-22)19-26-12-14-27(15-13-26)23-8-7-21-9-16-30-24(21)18-23/h4-9,16-18H,1-3,10-15,19H2.
What are the key properties of [3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
[3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 403.53 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(1-benzofuran-6-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 10692539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).