N-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide

C21H25ClN2O3 — CID 35557106

IUPACN-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C21H25ClN2O3/c1-3-14-5-6-18(22)17(4-2)19(14)23-20(25)15-7-10-24(11-8-15)21(26)16-9-12-27-13-16/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3,(H,23,25)
InChIKeyUYOCYPINQDJESL-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.55
Rot. Bonds5

About N-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 35557106) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID35557106
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C21H25ClN2O3/c1-3-14-5-6-18(22)17(4-2)19(14)23-20(25)15-7-10-24(11-8-15)21(26)16-9-12-27-13-16/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3,(H,23,25)
InChIKeyUYOCYPINQDJESL-UHFFFAOYSA-N
XLogP4.55
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2,6-diethylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30748113
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
2-(2,6-dichlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38198477
1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 35685138
N-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26198432
N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35505478
N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048458
1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 55573185
N-(2,5-dimethylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136576685
N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35751439

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 35557106) is N-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide is CCc1ccc(Cl)c(CC)c1NC(=O)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is UYOCYPINQDJESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-3-14-5-6-18(22)17(4-2)19(14)23-20(25)15-7-10-24(11-8-15)21(26)16-9-12-27-13-16/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3,(H,23,25).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 35557106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).