N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide

C19H21N3O4 — CID 78865625

IUPACN-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(CN1CCCCC1=O)NCc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H21N3O4/c23-17(13-22-9-2-1-8-18(22)24)20-12-14-5-3-6-15(11-14)21-19(25)16-7-4-10-26-16/h3-7,10-11H,1-2,8-9,12-13H2,(H,20,23)(H,21,25)
InChIKeyCYFFMLXKISFGSF-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.16
Rot. Bonds6

About N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide

N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 78865625) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID78865625
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(CN1CCCCC1=O)NCc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H21N3O4/c23-17(13-22-9-2-1-8-18(22)24)20-12-14-5-3-6-15(11-14)21-19(25)16-7-4-10-26-16/h3-7,10-11H,1-2,8-9,12-13H2,(H,20,23)(H,21,25)
InChIKeyCYFFMLXKISFGSF-UHFFFAOYSA-N
XLogP2.16
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 33281524
N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
CID 9218953
3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid
CID 120613759
N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111335
N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 39228693
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
CID 35668689
N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 32731119
2-(2-oxopyrrolidin-1-yl)-N-[(3-phenylmethoxyphenyl)methyl]acetamide
CID 129367971
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55613801
N-[3-[[[4-(3-oxopiperazin-1-yl)phenyl]methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 38314914
N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9325430

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide (CID 78865625) is N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide is O=C(CN1CCCCC1=O)NCc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is CYFFMLXKISFGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-17(13-22-9-2-1-8-18(22)24)20-12-14-5-3-6-15(11-14)21-19(25)16-7-4-10-26-16/h3-7,10-11H,1-2,8-9,12-13H2,(H,20,23)(H,21,25).
What are the key properties of N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 78865625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).