3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

C21H28N2O5 — CID 120549472

IUPAC3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)C2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C21H28N2O5/c1-28-18-8-3-2-7-17(18)22-19(24)14-9-11-23(12-10-14)20(25)15-5-4-6-16(13-15)21(26)27/h2-3,7-8,14-16H,4-6,9-13H2,1H3,(H,22,24)(H,26,27)
InChIKeyAAECRHBXZRVJLA-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.76
Rot. Bonds5

About 3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 120549472) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is 3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID120549472
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)C2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C21H28N2O5/c1-28-18-8-3-2-7-17(18)22-19(24)14-9-11-23(12-10-14)20(25)15-5-4-6-16(13-15)21(26)27/h2-3,7-8,14-16H,4-6,9-13H2,1H3,(H,22,24)(H,26,27)
InChIKeyAAECRHBXZRVJLA-UHFFFAOYSA-N
XLogP2.76
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129468162
N-(2-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146305
1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732590
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55653512
N-(2-methoxyphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118625
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689
1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 39466788
1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674
1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 120589254

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 120549472) is 3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is COc1ccccc1NC(=O)C1CCN(C(=O)C2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is AAECRHBXZRVJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-28-18-8-3-2-7-17(18)22-19(24)14-9-11-23(12-10-14)20(25)15-5-4-6-16(13-15)21(26)27/h2-3,7-8,14-16H,4-6,9-13H2,1H3,(H,22,24)(H,26,27).
What are the key properties of 3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 388.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120549472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).