N-(3,5-dimethylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide

C19H23N3O3 — CID 24792543

IUPACN-(3,5-dimethylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCC(NC(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H23N3O3/c1-13-10-14(2)12-16(11-13)21-19(24)22-7-5-15(6-8-22)20-18(23)17-4-3-9-25-17/h3-4,9-12,15H,5-8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyAYHBEAJQEUVGBC-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.32
Rot. Bonds3

About N-(3,5-dimethylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide

N-(3,5-dimethylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide (PubChem CID 24792543) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide
PubChem CID24792543
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(3,5-dimethylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCC(NC(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H23N3O3/c1-13-10-14(2)12-16(11-13)21-19(24)22-7-5-15(6-8-22)20-18(23)17-4-3-9-25-17/h3-4,9-12,15H,5-8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyAYHBEAJQEUVGBC-UHFFFAOYSA-N
XLogP3.32
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide (CID 24792543) is N-(3,5-dimethylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide is Cc1cc(C)cc(NC(=O)N2CCC(NC(=O)c3ccco3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide?
The InChIKey is AYHBEAJQEUVGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-10-14(2)12-16(11-13)21-19(24)22-7-5-15(6-8-22)20-18(23)17-4-3-9-25-17/h3-4,9-12,15H,5-8H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(3,5-dimethylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide?
N-(3,5-dimethylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 24792543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).