2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide

C20H27N3O2 — CID 30900411

IUPAC2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide
SMILESCc1cccc(N2CCN(CCNC(=O)c3cc(C)oc3C)CC2)c1
InChIInChI=1S/C20H27N3O2/c1-15-5-4-6-18(13-15)23-11-9-22(10-12-23)8-7-21-20(24)19-14-16(2)25-17(19)3/h4-6,13-14H,7-12H2,1-3H3,(H,21,24)
InChIKeyNISQSOAVZVWCEH-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.76
Rot. Bonds5

About 2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide (PubChem CID 30900411) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide
PubChem CID30900411
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide
SMILESCc1cccc(N2CCN(CCNC(=O)c3cc(C)oc3C)CC2)c1
InChIInChI=1S/C20H27N3O2/c1-15-5-4-6-18(13-15)23-11-9-22(10-12-23)8-7-21-20(24)19-14-16(2)25-17(19)3/h4-6,13-14H,7-12H2,1-3H3,(H,21,24)
InChIKeyNISQSOAVZVWCEH-UHFFFAOYSA-N
XLogP2.76
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885246
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
2-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3-nitrobenzamide
CID 43067029
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 75375536
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-methylsulfonylbenzamide
CID 46462236
2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 55662172
2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602004
2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide
CID 30899733

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide (CID 30900411) is 2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide is Cc1cccc(N2CCN(CCNC(=O)c3cc(C)oc3C)CC2)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide?
The InChIKey is NISQSOAVZVWCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-5-4-6-18(13-15)23-11-9-22(10-12-23)8-7-21-20(24)19-14-16(2)25-17(19)3/h4-6,13-14H,7-12H2,1-3H3,(H,21,24).
What are the key properties of 2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 30900411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).