N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C13H23F3N2O — CID 54872289

IUPACN-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1CCNCC1
InChIInChI=1S/C13H23F3N2O/c1-3-11(4-2)18(9-13(14,15)16)12(19)10-5-7-17-8-6-10/h10-11,17H,3-9H2,1-2H3
InChIKeyBMMNKCZNRKPREK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.57
Rot. Bonds5

About N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 54872289) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID54872289
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1CCNCC1
InChIInChI=1S/C13H23F3N2O/c1-3-11(4-2)18(9-13(14,15)16)12(19)10-5-7-17-8-6-10/h10-11,17H,3-9H2,1-2H3
InChIKeyBMMNKCZNRKPREK-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5S)-5-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944891
4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 114428482
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592998
2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 116676497
5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 107435225
2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 64592028
(3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81129178
N-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-4-carboxamide
CID 119325090
N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide
CID 63396070
ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate
CID 64591828
N-ethyl-N-(2-methylbutyl)piperidine-4-carboxamide
CID 79470658
N-cyclopropyl-N-ethylpiperidine-4-carboxamide
CID 43264267

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 54872289) is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)C1CCNCC1.
What is the InChIKey of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is BMMNKCZNRKPREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-3-11(4-2)18(9-13(14,15)16)12(19)10-5-7-17-8-6-10/h10-11,17H,3-9H2,1-2H3.
What are the key properties of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 54872289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).