1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C20H29FN2O3 — CID 86994763

IUPAC1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)N1CCC(C(=O)NCCCOC(C)C)CC1
InChIInChI=1S/C20H29FN2O3/c1-14(2)26-12-4-9-22-19(24)16-7-10-23(11-8-16)20(25)18-13-17(21)6-5-15(18)3/h5-6,13-14,16H,4,7-12H2,1-3H3,(H,22,24)
InChIKeyFZSAROJGJRHBMM-UHFFFAOYSA-N
MW364.46 g/mol
LogP2.92
Rot. Bonds7

About 1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 86994763) has the molecular formula C20H29FN2O3 and a molecular weight of 364.46 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID86994763
Molecular FormulaC20H29FN2O3
Molecular Weight364.46 g/mol
Exact Mass364.22
IUPAC Name1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)N1CCC(C(=O)NCCCOC(C)C)CC1
InChIInChI=1S/C20H29FN2O3/c1-14(2)26-12-4-9-22-19(24)16-7-10-23(11-8-16)20(25)18-13-17(21)6-5-15(18)3/h5-6,13-14,16H,4,7-12H2,1-3H3,(H,22,24)
InChIKeyFZSAROJGJRHBMM-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 60503970
1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 120622057
1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 112829603
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate
CID 3493104
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666
1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17153129
1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119720652

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 86994763) is 1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is Cc1ccc(F)cc1C(=O)N1CCC(C(=O)NCCCOC(C)C)CC1.
What is the InChIKey of 1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is FZSAROJGJRHBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O3/c1-14(2)26-12-4-9-22-19(24)16-7-10-23(11-8-16)20(25)18-13-17(21)6-5-15(18)3/h5-6,13-14,16H,4,7-12H2,1-3H3,(H,22,24).
What are the key properties of 1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 364.46 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 86994763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).