1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid

C21H24N2O5 — CID 120512802

IUPAC1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCOCCOc1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)ccn1
InChIInChI=1S/C21H24N2O5/c1-27-13-14-28-18-15-16(7-10-22-18)19(24)23-11-8-21(9-12-23,20(25)26)17-5-3-2-4-6-17/h2-7,10,15H,8-9,11-14H2,1H3,(H,25,26)
InChIKeyWUNBPTILBPPGSZ-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.37
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid

1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 120512802) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID120512802
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCOCCOc1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)ccn1
InChIInChI=1S/C21H24N2O5/c1-27-13-14-28-18-15-16(7-10-22-18)19(24)23-11-8-21(9-12-23,20(25)26)17-5-3-2-4-6-17/h2-7,10,15H,8-9,11-14H2,1H3,(H,25,26)
InChIKeyWUNBPTILBPPGSZ-UHFFFAOYSA-N
XLogP2.37
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512900
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate
CID 121017369
1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433186
(2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 124891801
1-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512840
1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68513246
(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 70726421
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205
1-[4-(3,4-dichlorophenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68508237
1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433235

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid (CID 120512802) is 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid is COCCOc1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)ccn1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is WUNBPTILBPPGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-27-13-14-28-18-15-16(7-10-22-18)19(24)23-11-8-21(9-12-23,20(25)26)17-5-3-2-4-6-17/h2-7,10,15H,8-9,11-14H2,1H3,(H,25,26).
What are the key properties of 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid?
1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 384.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 120512802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).