N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide

C21H30N4O3 — CID 46055967

IUPACN-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
SMILESCOc1cccc(N2CCN(Cc3ccc(C(=O)NCCN(C)C)o3)CC2)c1
InChIInChI=1S/C21H30N4O3/c1-23(2)10-9-22-21(26)20-8-7-19(28-20)16-24-11-13-25(14-12-24)17-5-4-6-18(15-17)27-3/h4-8,15H,9-14,16H2,1-3H3,(H,22,26)
InChIKeyYNDOERGTHFODLJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.90
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide (PubChem CID 46055967) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
PubChem CID46055967
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
SMILESCOc1cccc(N2CCN(Cc3ccc(C(=O)NCCN(C)C)o3)CC2)c1
InChIInChI=1S/C21H30N4O3/c1-23(2)10-9-22-21(26)20-8-7-19(28-20)16-24-11-13-25(14-12-24)17-5-4-6-18(15-17)27-3/h4-8,15H,9-14,16H2,1-3H3,(H,22,26)
InChIKeyYNDOERGTHFODLJ-UHFFFAOYSA-N
XLogP1.90
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 46043592
5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 42858767
N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 46055599
N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42858729
N-[2-(dimethylamino)ethyl]-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 42858719
N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carbothioamide
CID 8681550
N-[2-(dimethylamino)ethyl]-5-[[2-(3-methoxybenzoyl)imino-4,5-dimethyl-1,3-thiazol-3-yl]methyl]furan-2-carboxamide
CID 51067211
5-[[4-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 42825126
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554744
N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 46055949
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 42850938

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide (CID 46055967) is N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide is COc1cccc(N2CCN(Cc3ccc(C(=O)NCCN(C)C)o3)CC2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide?
The InChIKey is YNDOERGTHFODLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-23(2)10-9-22-21(26)20-8-7-19(28-20)16-24-11-13-25(14-12-24)17-5-4-6-18(15-17)27-3/h4-8,15H,9-14,16H2,1-3H3,(H,22,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 46055967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).