3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide

C19H22N4O4 — CID 8549513

IUPAC3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H22N4O4/c1-20-18(25)14-4-2-5-15(12-14)21-17(24)13-22-7-9-23(10-8-22)19(26)16-6-3-11-27-16/h2-6,11-12H,7-10,13H2,1H3,(H,20,25)(H,21,24)
InChIKeyDLIHKEFLQXHDGP-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.04
Rot. Bonds5

About 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide

3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide (PubChem CID 8549513) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide
PubChem CID8549513
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H22N4O4/c1-20-18(25)14-4-2-5-15(12-14)21-17(24)13-22-7-9-23(10-8-22)19(26)16-6-3-11-27-16/h2-6,11-12H,7-10,13H2,1H3,(H,20,25)(H,21,24)
InChIKeyDLIHKEFLQXHDGP-UHFFFAOYSA-N
XLogP1.04
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 1452101
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 3539401
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 34471106
N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 17406094
N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide
CID 27154833
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8704277

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide (CID 8549513) is 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide?
The InChIKey is DLIHKEFLQXHDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-20-18(25)14-4-2-5-15(12-14)21-17(24)13-22-7-9-23(10-8-22)19(26)16-6-3-11-27-16/h2-6,11-12H,7-10,13H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide?
3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide has a molecular weight of 370.41 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 8549513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).