[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C25H29N3O4 — CID 2941270

IUPAC[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCCc1ccc(OCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)o2)c(OC)c1
InChIInChI=1S/C25H29N3O4/c1-3-6-19-8-10-21(23(17-19)30-2)31-18-20-9-11-22(32-20)25(29)28-15-13-27(14-16-28)24-7-4-5-12-26-24/h4-5,7-12,17H,3,6,13-16,18H2,1-2H3
InChIKeyKDMUWRKNEZUEDC-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.18
Rot. Bonds8

About [5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 2941270) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is [5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID2941270
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCCc1ccc(OCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)o2)c(OC)c1
InChIInChI=1S/C25H29N3O4/c1-3-6-19-8-10-21(23(17-19)30-2)31-18-20-9-11-22(32-20)25(29)28-15-13-27(14-16-28)24-7-4-5-12-26-24/h4-5,7-12,17H,3,6,13-16,18H2,1-2H3
InChIKeyKDMUWRKNEZUEDC-UHFFFAOYSA-N
XLogP4.18
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone 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

Ketone, 4-(2-pyridyl)piperazinyl 3,4,5-trimethoxyphenyl
CID 28761
4-(Propan-2-yloxy)-N-(pyridin-2-YL)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 16015944
N-(3-methyl-2-pyridinyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24239957
N-(5-methyl-2-pyridinyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24243657
{5-[(2-methoxy-4-propylphenoxy)methyl](2-furyl)}-N-(3-pyridylmethyl)carboxamid e
CID 1091781
5-[(2-methoxy-4-propylphenoxy)methyl]-N-(6-methyl-2-pyridinyl)-2-furamide
CID 1269641
MS 28
CID 195216
Furan-2-carboxylic acid (1-phenethyl-piperidin-4-yl)-pyridin-2-yl-amide
CID 10339454
2-acetyl-7-methoxy-N-(3-methyl-2-pyridinyl)-1-benzofuran-4-carboxamide
CID 44308118
Furan-2-carboxylic acid [5-(3,4,5-trimethoxy-benzoylamino)-pyridin-2-yl]-amide
CID 646757
1-Acetyl-4-[2-hydroxy-3-(4-(2-pyridyl)piperazinyl)propoxy]-3-methoxybenzene
CID 2946645
N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}furan-2-carboxamide
CID 2955880

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 2941270) is [5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is CCCc1ccc(OCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)o2)c(OC)c1.
What is the InChIKey of [5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is KDMUWRKNEZUEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-3-6-19-8-10-21(23(17-19)30-2)31-18-20-9-11-22(32-20)25(29)28-15-13-27(14-16-28)24-7-4-5-12-26-24/h4-5,7-12,17H,3,6,13-16,18H2,1-2H3.
What are the key properties of [5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 435.52 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2941270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).