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

C20H27ClN4O2 — CID 46043592

IUPAC5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C20H27ClN4O2/c1-23(2)9-8-22-20(26)19-7-6-18(27-19)15-24-10-12-25(13-11-24)17-5-3-4-16(21)14-17/h3-7,14H,8-13,15H2,1-2H3,(H,22,26)
InChIKeyDVJKATAOXCRVRG-UHFFFAOYSA-N
MW390.92 g/mol
LogP2.55
Rot. Bonds7

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

5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide (PubChem CID 46043592) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
PubChem CID46043592
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC Name5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C20H27ClN4O2/c1-23(2)9-8-22-20(26)19-7-6-18(27-19)15-24-10-12-25(13-11-24)17-5-3-4-16(21)14-17/h3-7,14H,8-13,15H2,1-2H3,(H,22,26)
InChIKeyDVJKATAOXCRVRG-UHFFFAOYSA-N
XLogP2.55
TPSA51.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 46055967
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 42850938
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 46043730
5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 42858767
5-[[4-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 42825126
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153889
5-[[2-(3-chlorobenzoyl)imino-4,5-dimethyl-1,3-thiazol-3-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 51067213
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
N-[2-(dimethylamino)ethyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46043620
5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide
CID 55861118
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 42850946

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide (CID 46043592) is 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide is CN(C)CCNC(=O)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)o1.
What is the InChIKey of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide?
The InChIKey is DVJKATAOXCRVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O2/c1-23(2)9-8-22-20(26)19-7-6-18(27-19)15-24-10-12-25(13-11-24)17-5-3-4-16(21)14-17/h3-7,14H,8-13,15H2,1-2H3,(H,22,26).
What are the key properties of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide?
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide has a molecular weight of 390.92 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 46043592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).