N-butyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide

C18H24F3N3O3 — CID 49406664

IUPACN-butyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1
InChIInChI=1S/C18H24F3N3O3/c1-2-3-8-22-16(26)13-6-4-9-23(11-13)15(25)12-24-10-5-7-14(17(24)27)18(19,20)21/h5,7,10,13H,2-4,6,8-9,11-12H2,1H3,(H,22,26)
InChIKeyPNTWWPWXXYEBBH-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.02
Rot. Bonds6

About N-butyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide

N-butyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide (PubChem CID 49406664) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-butyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
PubChem CID49406664
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC NameN-butyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1
InChIInChI=1S/C18H24F3N3O3/c1-2-3-8-22-16(26)13-6-4-9-23(11-13)15(25)12-24-10-5-7-14(17(24)27)18(19,20)21/h5,7,10,13H,2-4,6,8-9,11-12H2,1H3,(H,22,26)
InChIKeyPNTWWPWXXYEBBH-UHFFFAOYSA-N
XLogP2.02
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.02
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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Related Compounds

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide
CID 72046368
N-(1-acetylpiperidin-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 45807140
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 146323231
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(trifluoromethyl)piperidine-2-carboxamide
CID 146323243
N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 146323245
N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen
CID 153398173
1-[2-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide
CID 31937890
(3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
CID 38846445
(3S)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
CID 38846446
N-(1-ethylpiperidin-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 43052844
3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 45842696
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47035939

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide (CID 49406664) is N-butyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1.
What is the InChIKey of N-butyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide?
The InChIKey is PNTWWPWXXYEBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c1-2-3-8-22-16(26)13-6-4-9-23(11-13)15(25)12-24-10-5-7-14(17(24)27)18(19,20)21/h5,7,10,13H,2-4,6,8-9,11-12H2,1H3,(H,22,26).
What are the key properties of N-butyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide?
N-butyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 49406664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).