N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide

C28H31N3O4 — CID 46334031

IUPACN-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)Nc4ccc(OC)cc4)c3)C2)cc1
InChIInChI=1S/C28H31N3O4/c1-3-35-26-15-11-24(12-16-26)30-28(33)31-17-5-8-22(19-31)20-6-4-7-21(18-20)27(32)29-23-9-13-25(34-2)14-10-23/h4,6-7,9-16,18,22H,3,5,8,17,19H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyHMNWRWWRVUJKSY-UHFFFAOYSA-N
MW473.57 g/mol
LogP5.76
Rot. Bonds7

About N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide

N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 46334031) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
PubChem CID46334031
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC NameN-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)Nc4ccc(OC)cc4)c3)C2)cc1
InChIInChI=1S/C28H31N3O4/c1-3-35-26-15-11-24(12-16-26)30-28(33)31-17-5-8-22(19-31)20-6-4-7-21(18-20)27(32)29-23-9-13-25(34-2)14-10-23/h4,6-7,9-16,18,22H,3,5,8,17,19H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyHMNWRWWRVUJKSY-UHFFFAOYSA-N
XLogP5.76
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 92872501
3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 46334034
3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 46334037
(3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872545
N-(4-ethoxyphenyl)-3-[3-[(5-methylfuran-2-yl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334063
(3S)-N-(4-ethoxyphenyl)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872593
N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 46334029
N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334076
(3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872821
(3S)-3-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92890941
(3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872664
(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872808

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide (CID 46334031) is N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)Nc4ccc(OC)cc4)c3)C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is HMNWRWWRVUJKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-3-35-26-15-11-24(12-16-26)30-28(33)31-17-5-8-22(19-31)20-6-4-7-21(18-20)27(32)29-23-9-13-25(34-2)14-10-23/h4,6-7,9-16,18,22H,3,5,8,17,19H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide?
N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide has a molecular weight of 473.57 g/mol, XLogP of 5.76, 7 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-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 46334031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).