N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

C26H27N3O4 — CID 35751439

IUPACN-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccccc2NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C26H27N3O4/c1-2-18-7-9-21(10-8-18)27-25(31)22-5-3-4-6-23(22)28-24(30)19-11-14-29(15-12-19)26(32)20-13-16-33-17-20/h3-10,13,16-17,19H,2,11-12,14-15H2,1H3,(H,27,31)(H,28,30)
InChIKeyLHWBRZGRLCMBAR-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.59
Rot. Bonds6

About N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 35751439) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID35751439
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccccc2NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C26H27N3O4/c1-2-18-7-9-21(10-8-18)27-25(31)22-5-3-4-6-23(22)28-24(30)19-11-14-29(15-12-19)26(32)20-13-16-33-17-20/h3-10,13,16-17,19H,2,11-12,14-15H2,1H3,(H,27,31)(H,28,30)
InChIKeyLHWBRZGRLCMBAR-UHFFFAOYSA-N
XLogP4.59
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 55567441
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 55573185
1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 35685138
N-(4-ethylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006644
1-(2-chlorobenzoyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17223510
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006643
1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 35750813
1-(4-fluorobenzoyl)-N-[2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 51218219
1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 35706548
1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006650
1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528033

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 35751439) is N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is CCc1ccc(NC(=O)c2ccccc2NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1.
What is the InChIKey of N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is LHWBRZGRLCMBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-2-18-7-9-21(10-8-18)27-25(31)22-5-3-4-6-23(22)28-24(30)19-11-14-29(15-12-19)26(32)20-13-16-33-17-20/h3-10,13,16-17,19H,2,11-12,14-15H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 35751439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).