5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide

C20H27N3O3 — CID 78873190

IUPAC5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCC(C)N2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C20H27N3O3/c1-16(14-21-20(24)19-9-8-18(26-19)15-25-2)22-10-12-23(13-11-22)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H,21,24)
InChIKeyIGLOVBAYXZJGQU-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.37
Rot. Bonds7

About 5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide

5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide (PubChem CID 78873190) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide
PubChem CID78873190
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCC(C)N2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C20H27N3O3/c1-16(14-21-20(24)19-9-8-18(26-19)15-25-2)22-10-12-23(13-11-22)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H,21,24)
InChIKeyIGLOVBAYXZJGQU-UHFFFAOYSA-N
XLogP2.37
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
N-[(2R)-2-(ethylamino)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 120650443
1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
CID 86989887
5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 43066958
2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55694971
1-oxido-N-[2-(4-phenylpiperazin-1-yl)propyl]pyridin-1-ium-2-carboxamide
CID 60511961
N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 97453798
3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55695053
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111061780
5-(methoxymethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 78840080

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide (CID 78873190) is 5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide is COCc1ccc(C(=O)NCC(C)N2CCN(c3ccccc3)CC2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide?
The InChIKey is IGLOVBAYXZJGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-16(14-21-20(24)19-9-8-18(26-19)15-25-2)22-10-12-23(13-11-22)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H,21,24).
What are the key properties of 5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide?
5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 78873190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).