trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

C18H22N2O5 — CID 129468162

IUPACtrans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1
InChIInChI=1S/C18H22N2O5/c1-25-15-5-3-2-4-14(15)19-16(21)11-6-8-20(9-7-11)17(22)12-10-13(12)18(23)24/h2-5,11-13H,6-10H2,1H3,(H,19,21)(H,23,24)/t12-,13-/m1/s1
InChIKeySQFOEFBNGRPKGZ-CHWSQXEVSA-N
MW346.38 g/mol
LogP1.59
Rot. Bonds5

About trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 129468162) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID129468162
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Nametrans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1
InChIInChI=1S/C18H22N2O5/c1-25-15-5-3-2-4-14(15)19-16(21)11-6-8-20(9-7-11)17(22)12-10-13(12)18(23)24/h2-5,11-13H,6-10H2,1H3,(H,19,21)(H,23,24)/t12-,13-/m1/s1
InChIKeySQFOEFBNGRPKGZ-CHWSQXEVSA-N
XLogP1.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120549472
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55653512
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
N-(2-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146305
N-(2-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134246
1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732590
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 109134583
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 109138487
N-(2-methoxyphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118625
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

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 129468162) is trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is COc1ccccc1NC(=O)C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1.
What is the InChIKey of trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is SQFOEFBNGRPKGZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-25-15-5-3-2-4-14(15)19-16(21)11-6-8-20(9-7-11)17(22)12-10-13(12)18(23)24/h2-5,11-13H,6-10H2,1H3,(H,19,21)(H,23,24)/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 346.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 129468162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).