1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide

C27H34F2N2O4 — CID 55747317

IUPAC1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCCCCOc1ccc(C(C)NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1OC
InChIInChI=1S/C27H34F2N2O4/c1-4-5-6-15-35-24-10-7-20(16-25(24)34-3)18(2)30-26(32)19-11-13-31(14-12-19)27(33)22-9-8-21(28)17-23(22)29/h7-10,16-19H,4-6,11-15H2,1-3H3,(H,30,32)
InChIKeyIWRYIRGXTHWZOL-UHFFFAOYSA-N
MW488.58 g/mol
LogP5.27
Rot. Bonds10

About 1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 55747317) has the molecular formula C27H34F2N2O4 and a molecular weight of 488.58 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID55747317
Molecular FormulaC27H34F2N2O4
Molecular Weight488.58 g/mol
Exact Mass488.25
IUPAC Name1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCCCCOc1ccc(C(C)NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1OC
InChIInChI=1S/C27H34F2N2O4/c1-4-5-6-15-35-24-10-7-20(16-25(24)34-3)18(2)30-26(32)19-11-13-31(14-12-19)27(33)22-9-8-21(28)17-23(22)29/h7-10,16-19H,4-6,11-15H2,1-3H3,(H,30,32)
InChIKeyIWRYIRGXTHWZOL-UHFFFAOYSA-N
XLogP5.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 55637704
1-(2,4-difluorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 55655878
1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 24639274
N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 119666493
(2,5-difluorophenyl)-[1-(4-hexoxy-3-methoxybenzoyl)piperidin-4-yl]methanone
CID 55748083
2-[1-(3-methoxy-4-pentoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974995
4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672678
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666
butyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 91717484
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119289106
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide (CID 55747317) is 1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide is CCCCCOc1ccc(C(C)NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1OC.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is IWRYIRGXTHWZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F2N2O4/c1-4-5-6-15-35-24-10-7-20(16-25(24)34-3)18(2)30-26(32)19-11-13-31(14-12-19)27(33)22-9-8-21(28)17-23(22)29/h7-10,16-19H,4-6,11-15H2,1-3H3,(H,30,32).
What are the key properties of 1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 488.58 g/mol, XLogP of 5.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55747317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).