N-(3-acetylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide

C19H21N3O4 — CID 24792701

IUPACN-(3-acetylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCC(NC(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H21N3O4/c1-13(23)14-4-2-5-16(12-14)21-19(25)22-9-7-15(8-10-22)20-18(24)17-6-3-11-26-17/h2-6,11-12,15H,7-10H2,1H3,(H,20,24)(H,21,25)
InChIKeyKSOFFHQBOLZYHE-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.91
Rot. Bonds4

About N-(3-acetylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide

N-(3-acetylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide (PubChem CID 24792701) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide
PubChem CID24792701
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-(3-acetylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCC(NC(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H21N3O4/c1-13(23)14-4-2-5-16(12-14)21-19(25)22-9-7-15(8-10-22)20-18(24)17-6-3-11-26-17/h2-6,11-12,15H,7-10H2,1H3,(H,20,24)(H,21,25)
InChIKeyKSOFFHQBOLZYHE-UHFFFAOYSA-N
XLogP2.91
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide (CID 24792701) is N-(3-acetylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide is CC(=O)c1cccc(NC(=O)N2CCC(NC(=O)c3ccco3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide?
The InChIKey is KSOFFHQBOLZYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13(23)14-4-2-5-16(12-14)21-19(25)22-9-7-15(8-10-22)20-18(24)17-6-3-11-26-17/h2-6,11-12,15H,7-10H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-(3-acetylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide?
N-(3-acetylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 24792701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).