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

C28H37N3O3 — CID 46334034

IUPAC3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)NC4CCCCCC4)c3)C2)cc1
InChIInChI=1S/C28H37N3O3/c1-2-34-26-16-14-25(15-17-26)30-28(33)31-18-8-11-23(20-31)21-9-7-10-22(19-21)27(32)29-24-12-5-3-4-6-13-24/h7,9-10,14-17,19,23-24H,2-6,8,11-13,18,20H2,1H3,(H,29,32)(H,30,33)
InChIKeyQROBTXYJOWUCNA-UHFFFAOYSA-N
MW463.62 g/mol
LogP5.95
Rot. Bonds6

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

3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide (PubChem CID 46334034) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is 3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
PubChem CID46334034
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC Name3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)NC4CCCCCC4)c3)C2)cc1
InChIInChI=1S/C28H37N3O3/c1-2-34-26-16-14-25(15-17-26)30-28(33)31-18-8-11-23(20-31)21-9-7-10-22(19-21)27(32)29-24-12-5-3-4-6-13-24/h7,9-10,14-17,19,23-24H,2-6,8,11-13,18,20H2,1H3,(H,29,32)(H,30,33)
InChIKeyQROBTXYJOWUCNA-UHFFFAOYSA-N
XLogP5.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 46334031
(3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872545
(3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 92872501
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
3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 46334037
3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788931
N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334076
N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 46334029
N-cyclopentyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333939
(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872808
N-cyclopentyl-3-[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]benzamide
CID 92872382

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide (CID 46334034) is 3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)NC4CCCCCC4)c3)C2)cc1.
What is the InChIKey of 3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is QROBTXYJOWUCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-2-34-26-16-14-25(15-17-26)30-28(33)31-18-8-11-23(20-31)21-9-7-10-22(19-21)27(32)29-24-12-5-3-4-6-13-24/h7,9-10,14-17,19,23-24H,2-6,8,11-13,18,20H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 463.62 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46334034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).