N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide

C21H25N3O4 — CID 131897899

IUPACN'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide
SMILESCc1cccc(NC(=O)CC(=O)NC2CCCN(C(=O)c3ccco3)C2)c1C
InChIInChI=1S/C21H25N3O4/c1-14-6-3-8-17(15(14)2)23-20(26)12-19(25)22-16-7-4-10-24(13-16)21(27)18-9-5-11-28-18/h3,5-6,8-9,11,16H,4,7,10,12-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPDPQCJFHQLXJCB-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.65
Rot. Bonds5

About N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide

N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide (PubChem CID 131897899) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide
PubChem CID131897899
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide
SMILESCc1cccc(NC(=O)CC(=O)NC2CCCN(C(=O)c3ccco3)C2)c1C
InChIInChI=1S/C21H25N3O4/c1-14-6-3-8-17(15(14)2)23-20(26)12-19(25)22-16-7-4-10-24(13-16)21(27)18-9-5-11-28-18/h3,5-6,8-9,11,16H,4,7,10,12-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPDPQCJFHQLXJCB-UHFFFAOYSA-N
XLogP2.65
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131939712
N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030173
N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 131907567
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(1-methylindol-3-yl)acetamide
CID 131907095
N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 97433741
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide
CID 137225405
[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 134697643
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide
CID 131933032
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035
N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867
N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide
CID 110389902
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide?
The IUPAC name of N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide (CID 131897899) is N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide?
The canonical SMILES for N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide is Cc1cccc(NC(=O)CC(=O)NC2CCCN(C(=O)c3ccco3)C2)c1C.
What is the InChIKey of N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide?
The InChIKey is PDPQCJFHQLXJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-6-3-8-17(15(14)2)23-20(26)12-19(25)22-16-7-4-10-24(13-16)21(27)18-9-5-11-28-18/h3,5-6,8-9,11,16H,4,7,10,12-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide?
N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide has a molecular weight of 383.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide is sourced from PubChem (CID 131897899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).