N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide

C22H25N3O4 — CID 42850808

IUPACN-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
SMILESCOc1ccccc1N1CCN(Cc2ccc(C(=O)NCc3ccco3)o2)CC1
InChIInChI=1S/C22H25N3O4/c1-27-20-7-3-2-6-19(20)25-12-10-24(11-13-25)16-18-8-9-21(29-18)22(26)23-15-17-5-4-14-28-17/h2-9,14H,10-13,15-16H2,1H3,(H,23,26)
InChIKeyZYBBDLPAWOQAEW-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.13
Rot. Bonds7

About N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide

N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide (PubChem CID 42850808) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
PubChem CID42850808
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
SMILESCOc1ccccc1N1CCN(Cc2ccc(C(=O)NCc3ccco3)o2)CC1
InChIInChI=1S/C22H25N3O4/c1-27-20-7-3-2-6-19(20)25-12-10-24(11-13-25)16-18-8-9-21(29-18)22(26)23-15-17-5-4-14-28-17/h2-9,14H,10-13,15-16H2,1H3,(H,23,26)
InChIKeyZYBBDLPAWOQAEW-UHFFFAOYSA-N
XLogP3.13
TPSA71.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42850815
N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 3980124
N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42858729
N-benzyl-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46043476
2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110690646
5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 46055568
N-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 3451411
N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 46055527
N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 46055949
1-(furan-2-ylmethyl)-3-[[(2R,4S,5R)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]thiourea
CID 162796002
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46043442
N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19416111

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide (CID 42850808) is N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide is COc1ccccc1N1CCN(Cc2ccc(C(=O)NCc3ccco3)o2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide?
The InChIKey is ZYBBDLPAWOQAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-27-20-7-3-2-6-19(20)25-12-10-24(11-13-25)16-18-8-9-21(29-18)22(26)23-15-17-5-4-14-28-17/h2-9,14H,10-13,15-16H2,1H3,(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide?
N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 42850808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).