N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide

C24H27N3O2 — CID 46055527

IUPACN-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C24H27N3O2/c28-24(25-17-20-7-3-1-4-8-20)23-12-11-22(29-23)19-27-15-13-26(14-16-27)18-21-9-5-2-6-10-21/h1-12H,13-19H2,(H,25,28)
InChIKeyUMDSMKTUWPAMSK-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.53
Rot. Bonds7

About N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide

N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide (PubChem CID 46055527) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
PubChem CID46055527
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C24H27N3O2/c28-24(25-17-20-7-3-1-4-8-20)23-12-11-22(29-23)19-27-15-13-26(14-16-27)18-21-9-5-2-6-10-21/h1-12H,13-19H2,(H,25,28)
InChIKeyUMDSMKTUWPAMSK-UHFFFAOYSA-N
XLogP3.53
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42858729
5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 42850910
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78840822
N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42850815
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
CID 176672860
N-[(1-ethylpyrazol-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414076
5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 29475175
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78888813
5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide
CID 42850909
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide (CID 46055527) is N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide is O=C(NCc1ccccc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)o1.
What is the InChIKey of N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide?
The InChIKey is UMDSMKTUWPAMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-24(25-17-20-7-3-1-4-8-20)23-12-11-22(29-23)19-27-15-13-26(14-16-27)18-21-9-5-2-6-10-21/h1-12H,13-19H2,(H,25,28).
What are the key properties of N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide?
N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 46055527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).