3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide

C19H25N3O3 — CID 119393656

IUPAC3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1occc1COc1ccccc1
InChIInChI=1S/C19H25N3O3/c23-19(21-8-4-11-22-12-9-20-10-13-22)18-16(7-14-24-18)15-25-17-5-2-1-3-6-17/h1-3,5-7,14,20H,4,8-13,15H2,(H,21,23)
InChIKeyIVMKGVOMESXGSU-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.88
Rot. Bonds8

About 3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide

3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide (PubChem CID 119393656) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide
PubChem CID119393656
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1occc1COc1ccccc1
InChIInChI=1S/C19H25N3O3/c23-19(21-8-4-11-22-12-9-20-10-13-22)18-16(7-14-24-18)15-25-17-5-2-1-3-6-17/h1-3,5-7,14,20H,4,8-13,15H2,(H,21,23)
InChIKeyIVMKGVOMESXGSU-UHFFFAOYSA-N
XLogP1.88
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119445982
2-[3-[(2-methylphenyl)methoxy]phenyl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119390993
5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide
CID 119392648
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 51941786
N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29434158
3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide
CID 30889619
2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393698
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 56555280

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide?
The IUPAC name of 3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide (CID 119393656) is 3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide is O=C(NCCCN1CCNCC1)c1occc1COc1ccccc1.
What is the InChIKey of 3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide?
The InChIKey is IVMKGVOMESXGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-19(21-8-4-11-22-12-9-20-10-13-22)18-16(7-14-24-18)15-25-17-5-2-1-3-6-17/h1-3,5-7,14,20H,4,8-13,15H2,(H,21,23).
What are the key properties of 3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide?
3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 119393656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).