N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide

C21H25N3O5 — CID 55855668

IUPACN-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2ccco2)c1)NCCC(=O)N1CCCCC1
InChIInChI=1S/C21H25N3O5/c25-19(22-10-9-20(26)24-11-2-1-3-12-24)15-29-17-7-4-6-16(14-17)23-21(27)18-8-5-13-28-18/h4-8,13-14H,1-3,9-12,15H2,(H,22,25)(H,23,27)
InChIKeySERNJZUQMHSROX-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.43
Rot. Bonds8

About N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide

N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide (PubChem CID 55855668) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
PubChem CID55855668
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2ccco2)c1)NCCC(=O)N1CCCCC1
InChIInChI=1S/C21H25N3O5/c25-19(22-10-9-20(26)24-11-2-1-3-12-24)15-29-17-7-4-6-16(14-17)23-21(27)18-8-5-13-28-18/h4-8,13-14H,1-3,9-12,15H2,(H,22,25)(H,23,27)
InChIKeySERNJZUQMHSROX-UHFFFAOYSA-N
XLogP2.43
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119392955
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349
1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid
CID 119354069
N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide
CID 46407153
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129
N-[3-[2-[3-(furan-2-ylmethoxy)propylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86930220
2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid
CID 119178015
N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119557618
N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46475702
N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide
CID 55616650
6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174620

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide (CID 55855668) is N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide is O=C(COc1cccc(NC(=O)c2ccco2)c1)NCCC(=O)N1CCCCC1.
What is the InChIKey of N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide?
The InChIKey is SERNJZUQMHSROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c25-19(22-10-9-20(26)24-11-2-1-3-12-24)15-29-17-7-4-6-16(14-17)23-21(27)18-8-5-13-28-18/h4-8,13-14H,1-3,9-12,15H2,(H,22,25)(H,23,27).
What are the key properties of N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55855668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).