N-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide

C17H24ClFN2O2 — CID 13272911

IUPACN-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide
SMILESCCCCCOc1cc(NC(=O)N2CCCCC2)c(F)cc1Cl
InChIInChI=1S/C17H24ClFN2O2/c1-2-3-7-10-23-16-12-15(14(19)11-13(16)18)20-17(22)21-8-5-4-6-9-21/h11-12H,2-10H2,1H3,(H,20,22)
InChIKeySBKGEWDEOJVXEW-UHFFFAOYSA-N
MW342.84 g/mol
LogP5.07
Rot. Bonds6

About N-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide

N-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide (PubChem CID 13272911) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is N-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide
PubChem CID13272911
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC NameN-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide
SMILESCCCCCOc1cc(NC(=O)N2CCCCC2)c(F)cc1Cl
InChIInChI=1S/C17H24ClFN2O2/c1-2-3-7-10-23-16-12-15(14(19)11-13(16)18)20-17(22)21-8-5-4-6-9-21/h11-12H,2-10H2,1H3,(H,20,22)
InChIKeySBKGEWDEOJVXEW-UHFFFAOYSA-N
XLogP5.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.84
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide (CID 13272911) is N-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide is CCCCCOc1cc(NC(=O)N2CCCCC2)c(F)cc1Cl.
What is the InChIKey of N-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide?
The InChIKey is SBKGEWDEOJVXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2O2/c1-2-3-7-10-23-16-12-15(14(19)11-13(16)18)20-17(22)21-8-5-4-6-9-21/h11-12H,2-10H2,1H3,(H,20,22).
What are the key properties of N-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide?
N-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide has a molecular weight of 342.84 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 13272911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).