N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide

C19H22N2O3 — CID 46516477

IUPACN-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)C2CCCN(C(=O)c3ccco3)C2)c1
InChIInChI=1S/C19H22N2O3/c1-2-14-6-3-8-16(12-14)20-18(22)15-7-4-10-21(13-15)19(23)17-9-5-11-24-17/h3,5-6,8-9,11-12,15H,2,4,7,10,13H2,1H3,(H,20,22)
InChIKeyVSINNPNSFQAAAN-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.33
Rot. Bonds4

About N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide

N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide (PubChem CID 46516477) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
PubChem CID46516477
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)C2CCCN(C(=O)c3ccco3)C2)c1
InChIInChI=1S/C19H22N2O3/c1-2-14-6-3-8-16(12-14)20-18(22)15-7-4-10-21(13-15)19(23)17-9-5-11-24-17/h3,5-6,8-9,11-12,15H,2,4,7,10,13H2,1H3,(H,20,22)
InChIKeyVSINNPNSFQAAAN-UHFFFAOYSA-N
XLogP3.33
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
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-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804384
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 29410855
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
1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 45211848
3-N-[3-(furan-2-carbonylamino)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 42935667
(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082707
N-(2,3-dichlorophenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938602

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide (CID 46516477) is N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide is CCc1cccc(NC(=O)C2CCCN(C(=O)c3ccco3)C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is VSINNPNSFQAAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-14-6-3-8-16(12-14)20-18(22)15-7-4-10-21(13-15)19(23)17-9-5-11-24-17/h3,5-6,8-9,11-12,15H,2,4,7,10,13H2,1H3,(H,20,22).
What are the key properties of N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide?
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46516477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).