N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide

C24H27N3O3 — CID 46055949

IUPACN-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide
SMILESCOc1cccc(N2CCN(Cc3cccc(C(=O)NCc4ccco4)c3)CC2)c1
InChIInChI=1S/C24H27N3O3/c1-29-22-8-3-7-21(16-22)27-12-10-26(11-13-27)18-19-5-2-6-20(15-19)24(28)25-17-23-9-4-14-30-23/h2-9,14-16H,10-13,17-18H2,1H3,(H,25,28)
InChIKeyTVVLWEVLODEOSR-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.54
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide

N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide (PubChem CID 46055949) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide
PubChem CID46055949
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide
SMILESCOc1cccc(N2CCN(Cc3cccc(C(=O)NCc4ccco4)c3)CC2)c1
InChIInChI=1S/C24H27N3O3/c1-29-22-8-3-7-21(16-22)27-12-10-26(11-13-27)18-19-5-2-6-20(15-19)24(28)25-17-23-9-4-14-30-23/h2-9,14-16H,10-13,17-18H2,1H3,(H,25,28)
InChIKeyTVVLWEVLODEOSR-UHFFFAOYSA-N
XLogP3.54
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 43921245
N-(furan-2-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71830078
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
CID 110900329
N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 46055599
3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide
CID 134033244
N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide
CID 42810289
N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227342
N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide
CID 83288344
N-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2698399
3-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
CID 42830374

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide (CID 46055949) is N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide is COc1cccc(N2CCN(Cc3cccc(C(=O)NCc4ccco4)c3)CC2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is TVVLWEVLODEOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-29-22-8-3-7-21(16-22)27-12-10-26(11-13-27)18-19-5-2-6-20(15-19)24(28)25-17-23-9-4-14-30-23/h2-9,14-16H,10-13,17-18H2,1H3,(H,25,28).
What are the key properties of N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 46055949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).