(3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide

C29H33N3O3 — CID 92872750

IUPAC(3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCc4ccccc4OC)c3)C2)cc1
InChIInChI=1S/C29H33N3O3/c1-3-21-13-15-26(16-14-21)31-29(34)32-17-7-11-25(20-32)22-9-6-10-23(18-22)28(33)30-19-24-8-4-5-12-27(24)35-2/h4-6,8-10,12-16,18,25H,3,7,11,17,19-20H2,1-2H3,(H,30,33)(H,31,34)/t25-/m0/s1
InChIKeyBPIIESCSUYDBEI-VWLOTQADSA-N
MW471.60 g/mol
LogP5.60
Rot. Bonds7

About (3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide

(3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 92872750) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is (3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
PubChem CID92872750
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name(3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCc4ccccc4OC)c3)C2)cc1
InChIInChI=1S/C29H33N3O3/c1-3-21-13-15-26(16-14-21)31-29(34)32-17-7-11-25(20-32)22-9-6-10-23(18-22)28(33)30-19-24-8-4-5-12-27(24)35-2/h4-6,8-10,12-16,18,25H,3,7,11,17,19-20H2,1-2H3,(H,30,33)(H,31,34)/t25-/m0/s1
InChIKeyBPIIESCSUYDBEI-VWLOTQADSA-N
XLogP5.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334023
3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872473
3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334145
3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334158
3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872341
3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334225
(3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 92872741
(3S)-N-(4-ethylphenyl)-3-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872769
(3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872821
3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788910
(3S)-N-(4-ethylphenyl)-3-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872765
(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872808

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide (CID 92872750) is (3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide is CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCc4ccccc4OC)c3)C2)cc1.
What is the InChIKey of (3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is BPIIESCSUYDBEI-VWLOTQADSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-3-21-13-15-26(16-14-21)31-29(34)32-17-7-11-25(20-32)22-9-6-10-23(18-22)28(33)30-19-24-8-4-5-12-27(24)35-2/h4-6,8-10,12-16,18,25H,3,7,11,17,19-20H2,1-2H3,(H,30,33)(H,31,34)/t25-/m0/s1.
What are the key properties of (3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
(3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 92872750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).