N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide

C27H31N3O4 — CID 46334076

IUPACN-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)NCCc4ccco4)c3)C2)cc1
InChIInChI=1S/C27H31N3O4/c1-2-33-25-12-10-23(11-13-25)29-27(32)30-16-4-8-22(19-30)20-6-3-7-21(18-20)26(31)28-15-14-24-9-5-17-34-24/h3,5-7,9-13,17-18,22H,2,4,8,14-16,19H2,1H3,(H,28,31)(H,29,32)
InChIKeyIRLXKNXYYPUAEW-UHFFFAOYSA-N
MW461.56 g/mol
LogP5.06
Rot. Bonds8

About N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide

N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 46334076) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
PubChem CID46334076
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC NameN-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)NCCc4ccco4)c3)C2)cc1
InChIInChI=1S/C27H31N3O4/c1-2-33-25-12-10-23(11-13-25)29-27(32)30-16-4-8-22(19-30)20-6-3-7-21(18-20)26(31)28-15-14-24-9-5-17-34-24/h3,5-7,9-13,17-18,22H,2,4,8,14-16,19H2,1H3,(H,28,31)(H,29,32)
InChIKeyIRLXKNXYYPUAEW-UHFFFAOYSA-N
XLogP5.06
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-3-[3-[(5-methylfuran-2-yl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334063
(3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872545
3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 46334034
N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 46334031
(3S)-N-(4-ethoxyphenyl)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872593
(3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 92872501
N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 46334029
3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 46334037
(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872808
3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334158
(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872813
(3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 92872741

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide (CID 46334076) is N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)NCCc4ccco4)c3)C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is IRLXKNXYYPUAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-2-33-25-12-10-23(11-13-25)29-27(32)30-16-4-8-22(19-30)20-6-3-7-21(18-20)26(31)28-15-14-24-9-5-17-34-24/h3,5-7,9-13,17-18,22H,2,4,8,14-16,19H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide?
N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 5.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 46334076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).