N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide

C19H25N3O2 — CID 39302279

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H25N3O2/c1-16-7-14-24-18(16)19(23)20-8-9-21-10-12-22(13-11-21)15-17-5-3-2-4-6-17/h2-7,14H,8-13,15H2,1H3,(H,20,23)
InChIKeyONTOFGRAEMMVKB-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.14
Rot. Bonds6

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide (PubChem CID 39302279) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide
PubChem CID39302279
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H25N3O2/c1-16-7-14-24-18(16)19(23)20-8-9-21-10-12-22(13-11-21)15-17-5-3-2-4-6-17/h2-7,14H,8-13,15H2,1H3,(H,20,23)
InChIKeyONTOFGRAEMMVKB-UHFFFAOYSA-N
XLogP2.14
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
CID 110695645
N-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide
CID 55932766
N-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55841381
N-[3-[[N-(1-benzylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111771135
3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 47026736
N-[5-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 39983594
N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 134015009
3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 24551435
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
CID 14762566
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide (CID 39302279) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide?
The InChIKey is ONTOFGRAEMMVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-16-7-14-24-18(16)19(23)20-8-9-21-10-12-22(13-11-21)15-17-5-3-2-4-6-17/h2-7,14H,8-13,15H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 39302279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).