N-(3-cyclopentylpropyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C22H29F3N2O2 — CID 24817809

IUPACN-(3-cyclopentylpropyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCCCC1CCCC1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H29F3N2O2/c23-22(24,25)19-9-3-7-17(13-19)14-27-15-18(10-11-20(27)28)21(29)26-12-4-8-16-5-1-2-6-16/h3,7,9,13,16,18H,1-2,4-6,8,10-12,14-15H2,(H,26,29)
InChIKeyYJJYJFNSMCUACL-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.53
Rot. Bonds7

About N-(3-cyclopentylpropyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

N-(3-cyclopentylpropyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24817809) has the molecular formula C22H29F3N2O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24817809
Molecular FormulaC22H29F3N2O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC NameN-(3-cyclopentylpropyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCCCC1CCCC1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H29F3N2O2/c23-22(24,25)19-9-3-7-17(13-19)14-27-15-18(10-11-20(27)28)21(29)26-12-4-8-16-5-1-2-6-16/h3,7,9,13,16,18H,1-2,4-6,8,10-12,14-15H2,(H,26,29)
InChIKeyYJJYJFNSMCUACL-UHFFFAOYSA-N
XLogP4.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.53
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-(3-cyclopentylpropyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24817809) is N-(3-cyclopentylpropyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCCCC1CCCC1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-(3-cyclopentylpropyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is YJJYJFNSMCUACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N2O2/c23-22(24,25)19-9-3-7-17(13-19)14-27-15-18(10-11-20(27)28)21(29)26-12-4-8-16-5-1-2-6-16/h3,7,9,13,16,18H,1-2,4-6,8,10-12,14-15H2,(H,26,29).
What are the key properties of N-(3-cyclopentylpropyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-(3-cyclopentylpropyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24817809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).