1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide

C26H27N3O4 — CID 46490620

IUPAC1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)C2)c1
InChIInChI=1S/C26H27N3O4/c1-17-12-18(2)14-20(13-17)26(32)29-10-4-6-19(16-29)24(30)27-21-7-3-8-22(15-21)28-25(31)23-9-5-11-33-23/h3,5,7-9,11-15,19H,4,6,10,16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyJQAOLARUBWLOTM-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.64
Rot. Bonds5

About 1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide (PubChem CID 46490620) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide
PubChem CID46490620
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)C2)c1
InChIInChI=1S/C26H27N3O4/c1-17-12-18(2)14-20(13-17)26(32)29-10-4-6-19(16-29)24(30)27-21-7-3-8-22(15-21)28-25(31)23-9-5-11-33-23/h3,5,7-9,11-15,19H,4,6,10,16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyJQAOLARUBWLOTM-UHFFFAOYSA-N
XLogP4.64
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[3-(furan-2-carbonylamino)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 42935667
N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42895769
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42942172
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 46489523
1-(furan-2-carbonyl)-N-(3-iodo-4-methylphenyl)piperidine-3-carboxamide
CID 46526702
(3S)-N-(4-bromo-3-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082833
(3R)-N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082579
2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351787
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
(3S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32626209

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide (CID 46490620) is 1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)C2)c1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide?
The InChIKey is JQAOLARUBWLOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-17-12-18(2)14-20(13-17)26(32)29-10-4-6-19(16-29)24(30)27-21-7-3-8-22(15-21)28-25(31)23-9-5-11-33-23/h3,5,7-9,11-15,19H,4,6,10,16H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 46490620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).