1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide

C19H26F3N3O3 — CID 55717916

IUPAC1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1
InChIInChI=1S/C19H26F3N3O3/c1-2-3-4-9-23-18(28)14-7-10-24(11-8-14)17(27)13-25-12-15(19(20,21)22)5-6-16(25)26/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,23,28)
InChIKeyAXMREGHCSOBYIK-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.41
Rot. Bonds7

About 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide

1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 55717916) has the molecular formula C19H26F3N3O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide
PubChem CID55717916
Molecular FormulaC19H26F3N3O3
Molecular Weight401.43 g/mol
Exact Mass401.19
IUPAC Name1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1
InChIInChI=1S/C19H26F3N3O3/c1-2-3-4-9-23-18(28)14-7-10-24(11-8-14)17(27)13-25-12-15(19(20,21)22)5-6-16(25)26/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,23,28)
InChIKeyAXMREGHCSOBYIK-UHFFFAOYSA-N
XLogP2.41
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide (CID 55717916) is 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1.
What is the InChIKey of 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is AXMREGHCSOBYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O3/c1-2-3-4-9-23-18(28)14-7-10-24(11-8-14)17(27)13-25-12-15(19(20,21)22)5-6-16(25)26/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,23,28).
What are the key properties of 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide?
1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 55717916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).