1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide

C13H23F3N4O2 — CID 56796177

IUPAC1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCCNC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N4O2/c14-13(15,16)9-19-12(22)18-5-1-2-6-20-7-3-10(4-8-20)11(17)21/h10H,1-9H2,(H2,17,21)(H2,18,19,22)
InChIKeyPVCQUSAYGSYSBJ-UHFFFAOYSA-N
MW324.35 g/mol
LogP0.83
Rot. Bonds7

About 1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide

1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide (PubChem CID 56796177) has the molecular formula C13H23F3N4O2 and a molecular weight of 324.35 g/mol. Its IUPAC name is 1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide
PubChem CID56796177
Molecular FormulaC13H23F3N4O2
Molecular Weight324.35 g/mol
Exact Mass324.18
IUPAC Name1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCCNC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N4O2/c14-13(15,16)9-19-12(22)18-5-1-2-6-20-7-3-10(4-8-20)11(17)21/h10H,1-9H2,(H2,17,21)(H2,18,19,22)
InChIKeyPVCQUSAYGSYSBJ-UHFFFAOYSA-N
XLogP0.83
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(N'-methyl-N-pentylcarbamimidoyl)amino]butyl]piperidine-4-carboxamide
CID 111129273
1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 174854597
1-(2,2,2-trifluoroethyl)-3-(5,5,5-trifluoropentyl)urea
CID 115758261
1-[4-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 109453959
1-[4-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111212022
1-[4-[[N'-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]butyl]piperidine-4-carboxamide
CID 111420555
1-octadecylpiperidine-4-carboxamide
CID 4134920
1-[4-[(N'-octylcarbamimidoyl)amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111060520
tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate
CID 126820899
1-[4-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]butyl]piperidine-4-carboxamide
CID 111383223
1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide
CID 86899172
1-[4-[(4-bromothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide
CID 38065003

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide (CID 56796177) is 1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCCCNC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide?
The InChIKey is PVCQUSAYGSYSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4O2/c14-13(15,16)9-19-12(22)18-5-1-2-6-20-7-3-10(4-8-20)11(17)21/h10H,1-9H2,(H2,17,21)(H2,18,19,22).
What are the key properties of 1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide?
1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide has a molecular weight of 324.35 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide is sourced from PubChem (CID 56796177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).