1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide

C26H33FN2O5 — CID 55748663

IUPAC1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide
SMILESCOCCOc1ccc(C(C)NC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1OC
InChIInChI=1S/C26H33FN2O5/c1-18(20-8-11-23(24(16-20)33-3)34-14-13-32-2)28-26(31)21-5-4-12-29(17-21)25(30)15-19-6-9-22(27)10-7-19/h6-11,16,18,21H,4-5,12-15,17H2,1-3H3,(H,28,31)
InChIKeyJUYCXQUPGVJTDU-UHFFFAOYSA-N
MW472.56 g/mol
LogP3.52
Rot. Bonds10

About 1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide

1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide (PubChem CID 55748663) has the molecular formula C26H33FN2O5 and a molecular weight of 472.56 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide
PubChem CID55748663
Molecular FormulaC26H33FN2O5
Molecular Weight472.56 g/mol
Exact Mass472.24
IUPAC Name1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide
SMILESCOCCOc1ccc(C(C)NC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1OC
InChIInChI=1S/C26H33FN2O5/c1-18(20-8-11-23(24(16-20)33-3)34-14-13-32-2)28-26(31)21-5-4-12-29(17-21)25(30)15-19-6-9-22(27)10-7-19/h6-11,16,18,21H,4-5,12-15,17H2,1-3H3,(H,28,31)
InChIKeyJUYCXQUPGVJTDU-UHFFFAOYSA-N
XLogP3.52
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 53.52
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

N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55637812
1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 55741772
1-[2-(4-fluorophenyl)acetyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 55738275
(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 95352112
(3S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26707853
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119289128
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
(3S)-1-(4-chlorobenzoyl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 51923958
(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 30401696
N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
CID 46407957
1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide
CID 55747317

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide (CID 55748663) is 1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide is COCCOc1ccc(C(C)NC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1OC.
What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide?
The InChIKey is JUYCXQUPGVJTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O5/c1-18(20-8-11-23(24(16-20)33-3)34-14-13-32-2)28-26(31)21-5-4-12-29(17-21)25(30)15-19-6-9-22(27)10-7-19/h6-11,16,18,21H,4-5,12-15,17H2,1-3H3,(H,28,31).
What are the key properties of 1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide?
1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide has a molecular weight of 472.56 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 55748663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).