(2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid

C18H26N2O5 — CID 167884847

IUPAC(2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid
SMILESCNC(=O)[C@H]1CC[C@@H](C(=O)O)N(CCOCc2ccc(OC)cc2)C1
InChIInChI=1S/C18H26N2O5/c1-19-17(21)14-5-8-16(18(22)23)20(11-14)9-10-25-12-13-3-6-15(24-2)7-4-13/h3-4,6-7,14,16H,5,8-12H2,1-2H3,(H,19,21)(H,22,23)/t14-,16-/m0/s1
InChIKeyRQHCCOJTKMYZFM-HOCLYGCPSA-N
MW350.42 g/mol
LogP1.12
Rot. Bonds8

About (2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid

(2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 167884847) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID167884847
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name(2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid
SMILESCNC(=O)[C@H]1CC[C@@H](C(=O)O)N(CCOCc2ccc(OC)cc2)C1
InChIInChI=1S/C18H26N2O5/c1-19-17(21)14-5-8-16(18(22)23)20(11-14)9-10-25-12-13-3-6-15(24-2)7-4-13/h3-4,6-7,14,16H,5,8-12H2,1-2H3,(H,19,21)(H,22,23)/t14-,16-/m0/s1
InChIKeyRQHCCOJTKMYZFM-HOCLYGCPSA-N
XLogP1.12
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-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

(2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide
CID 56719615
1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 176930266
(2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid
CID 167853417
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
1-[2-(4-methoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420386
methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate
CID 11550899
dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate
CID 155933233
1-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methylsulfanyl]-N-methylpyrrolidine-2-carboxamide
CID 14880305
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
(3S,4aS,8aR)-N-methyl-6-(2-phenylmethoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 124802231
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide
CID 51094307

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid (CID 167884847) is (2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid is CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(CCOCc2ccc(OC)cc2)C1.
What is the InChIKey of (2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is RQHCCOJTKMYZFM-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-19-17(21)14-5-8-16(18(22)23)20(11-14)9-10-25-12-13-3-6-15(24-2)7-4-13/h3-4,6-7,14,16H,5,8-12H2,1-2H3,(H,19,21)(H,22,23)/t14-,16-/m0/s1.
What are the key properties of (2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid?
(2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 167884847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).