N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide

C19H23N3O4 — CID 108945089

IUPACN-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
SMILESCOc1ccc(N2CCN(C(=O)CC(=O)NCc3ccco3)CC2)cc1
InChIInChI=1S/C19H23N3O4/c1-25-16-6-4-15(5-7-16)21-8-10-22(11-9-21)19(24)13-18(23)20-14-17-3-2-12-26-17/h2-7,12H,8-11,13-14H2,1H3,(H,20,23)
InChIKeyXBWVJKOZWSVPFN-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.64
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide

N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide (PubChem CID 108945089) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
PubChem CID108945089
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
SMILESCOc1ccc(N2CCN(C(=O)CC(=O)NCc3ccco3)CC2)cc1
InChIInChI=1S/C19H23N3O4/c1-25-16-6-4-15(5-7-16)21-8-10-22(11-9-21)19(24)13-18(23)20-14-17-3-2-12-26-17/h2-7,12H,8-11,13-14H2,1H3,(H,20,23)
InChIKeyXBWVJKOZWSVPFN-UHFFFAOYSA-N
XLogP1.64
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 108945088
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 2594758
[2-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109255106
4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106510
[2-(furan-2-ylmethylamino)pyrimidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109303310
3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxo-N-(2-phenylethyl)propanamide
CID 108947958
N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 3980124
N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108944211
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] furan-2-carboxylate
CID 7378693
4-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106508
N-butan-2-yl-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108941820
N-(furan-2-ylmethyl)-N'-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]oxamide
CID 20866499

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide (CID 108945089) is N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide is COc1ccc(N2CCN(C(=O)CC(=O)NCc3ccco3)CC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
The InChIKey is XBWVJKOZWSVPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-25-16-6-4-15(5-7-16)21-8-10-22(11-9-21)19(24)13-18(23)20-14-17-3-2-12-26-17/h2-7,12H,8-11,13-14H2,1H3,(H,20,23).
What are the key properties of N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide has a molecular weight of 357.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide is sourced from PubChem (CID 108945089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).