N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide

C12H19F3N2O2 — CID 110344181

IUPACN-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O2/c1-2-3-6-16-10(18)9-5-4-7-17(8-9)11(19)12(13,14)15/h9H,2-8H2,1H3,(H,16,18)
InChIKeyRICJNBBPYNTZRF-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.70
Rot. Bonds4

About N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide

N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (PubChem CID 110344181) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
PubChem CID110344181
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O2/c1-2-3-6-16-10(18)9-5-4-7-17(8-9)11(19)12(13,14)15/h9H,2-8H2,1H3,(H,16,18)
InChIKeyRICJNBBPYNTZRF-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.70
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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Related Compounds

1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride
CID 119762881
methyl 3-(butylcarbamoyl)piperidine-1-carboxylate
CID 110754259
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975736
tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate
CID 43176190
N-cyclopropyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344179
N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide
CID 119311468
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
N-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344209
(3R)-N-(3-anilinopropyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 95307693
2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate
CID 102216140
N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (CID 110344181) is N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The InChIKey is RICJNBBPYNTZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-2-3-6-16-10(18)9-5-4-7-17(8-9)11(19)12(13,14)15/h9H,2-8H2,1H3,(H,16,18).
What are the key properties of N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 110344181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).