N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide

C18H23F3N2O2 — CID 113005611

IUPACN-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C18H23F3N2O2/c1-2-3-4-9-22-17(24)12-7-10-23(11-8-12)18(25)13-5-6-14(19)16(21)15(13)20/h5-6,12H,2-4,7-11H2,1H3,(H,22,24)
InChIKeyGAIJOCKXQZDVQF-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.26
Rot. Bonds6

About N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide

N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide (PubChem CID 113005611) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
PubChem CID113005611
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC NameN-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C18H23F3N2O2/c1-2-3-4-9-22-17(24)12-7-10-23(11-8-12)18(25)13-5-6-14(19)16(21)15(13)20/h5-6,12H,2-4,7-11H2,1H3,(H,22,24)
InChIKeyGAIJOCKXQZDVQF-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminobenzoyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119944482
N-(oxolan-2-ylmethyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
CID 113003389
1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide
CID 39938111
N-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
CID 113008965
1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
CID 119287815
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide
CID 55717756
N-propyl-4-(2,3,4-trifluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 110811669
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666
1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 24596971
1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119720581

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide (CID 113005611) is N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is GAIJOCKXQZDVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-2-3-4-9-22-17(24)12-7-10-23(11-8-12)18(25)13-5-6-14(19)16(21)15(13)20/h5-6,12H,2-4,7-11H2,1H3,(H,22,24).
What are the key properties of N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide?
N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113005611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).