(3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C12H21F3N2O — CID 81129896

IUPAC(3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H21F3N2O/c1-9(2)7-17(8-12(13,14)15)11(18)10-4-3-5-16-6-10/h9-10,16H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyCDCIEXLMLYVQSC-JTQLQIEISA-N
MW266.31 g/mol
LogP2.03
Rot. Bonds4

About (3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 81129896) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is (3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID81129896
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name(3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H21F3N2O/c1-9(2)7-17(8-12(13,14)15)11(18)10-4-3-5-16-6-10/h9-10,16H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyCDCIEXLMLYVQSC-JTQLQIEISA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-methylpropyl)piperidine-3-carboxamide
CID 43588735
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 54871879
2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81133973
(3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81124814
(3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81129178
N-(2-methylpropyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 60944840
N,N-diethylpiperidine-3-carboxamide
CID 18793
(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 81129333
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55150427
methyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate
CID 81129207
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119299426

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 81129896) is (3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is CDCIEXLMLYVQSC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9(2)7-17(8-12(13,14)15)11(18)10-4-3-5-16-6-10/h9-10,16H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 81129896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).