N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide

C22H27N3O4 — CID 42942172

IUPACN-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)C2CCCN(C(=O)c3ccco3)C2)c1
InChIInChI=1S/C22H27N3O4/c1-22(2,3)21(28)24-17-9-4-8-16(13-17)23-19(26)15-7-5-11-25(14-15)20(27)18-10-6-12-29-18/h4,6,8-10,12-13,15H,5,7,11,14H2,1-3H3,(H,23,26)(H,24,28)
InChIKeyOVDSPMFRFSOJFN-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.76
Rot. Bonds4

About N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide

N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide (PubChem CID 42942172) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
PubChem CID42942172
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)C2CCCN(C(=O)c3ccco3)C2)c1
InChIInChI=1S/C22H27N3O4/c1-22(2,3)21(28)24-17-9-4-8-16(13-17)23-19(26)15-7-5-11-25(14-15)20(27)18-10-6-12-29-18/h4,6,8-10,12-13,15H,5,7,11,14H2,1-3H3,(H,23,26)(H,24,28)
InChIKeyOVDSPMFRFSOJFN-UHFFFAOYSA-N
XLogP3.76
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42895769
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
1-(furan-2-carbonyl)-N-(3-iodo-4-methylphenyl)piperidine-3-carboxamide
CID 46526702
1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide
CID 46490620
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938393
(3S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32626209
3-N-[3-(furan-2-carbonylamino)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 42935667
N-(2,3-dichlorophenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938602
N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 34471106
1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 45211848
N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829342
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 29410855

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide (CID 42942172) is N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide is CC(C)(C)C(=O)Nc1cccc(NC(=O)C2CCCN(C(=O)c3ccco3)C2)c1.
What is the InChIKey of N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is OVDSPMFRFSOJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-22(2,3)21(28)24-17-9-4-8-16(13-17)23-19(26)15-7-5-11-25(14-15)20(27)18-10-6-12-29-18/h4,6,8-10,12-13,15H,5,7,11,14H2,1-3H3,(H,23,26)(H,24,28).
What are the key properties of N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42942172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).