N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

C22H30N4O3 — CID 109030213

IUPACN-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C22H30N4O3/c1-3-25(4-2)19-9-7-18(8-10-19)23-21(27)11-12-24-13-15-26(16-14-24)22(28)20-6-5-17-29-20/h5-10,17H,3-4,11-16H2,1-2H3,(H,23,27)
InChIKeyUHPAPGGHIARQDG-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.91
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 109030213) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID109030213
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C22H30N4O3/c1-3-25(4-2)19-9-7-18(8-10-19)23-21(27)11-12-24-13-15-26(16-14-24)22(28)20-6-5-17-29-20/h5-10,17H,3-4,11-16H2,1-2H3,(H,23,27)
InChIKeyUHPAPGGHIARQDG-UHFFFAOYSA-N
XLogP2.91
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37376304
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide
CID 7333667
N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030173
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide
CID 37376311
methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate
CID 109030209
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030220
3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030084
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 109019119

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (CID 109030213) is N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is CCN(CC)c1ccc(NC(=O)CCN2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is UHPAPGGHIARQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-3-25(4-2)19-9-7-18(8-10-19)23-21(27)11-12-24-13-15-26(16-14-24)22(28)20-6-5-17-29-20/h5-10,17H,3-4,11-16H2,1-2H3,(H,23,27).
What are the key properties of N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 398.51 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109030213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).