(2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide

C16H28F3N3O — CID 120638355

IUPAC(2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCC2CCN(CC(F)(F)F)CC2)CCN1
InChIInChI=1S/C16H28F3N3O/c1-12-10-14(3-7-20-12)15(23)21-6-2-13-4-8-22(9-5-13)11-16(17,18)19/h12-14,20H,2-11H2,1H3,(H,21,23)/t12-,14-/m0/s1
InChIKeyKWCLAYQNGNVLKI-JSGCOSHPSA-N
MW335.41 g/mol
LogP2.16
Rot. Bonds5

About (2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide (PubChem CID 120638355) has the molecular formula C16H28F3N3O and a molecular weight of 335.41 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide
PubChem CID120638355
Molecular FormulaC16H28F3N3O
Molecular Weight335.41 g/mol
Exact Mass335.22
IUPAC Name(2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCC2CCN(CC(F)(F)F)CC2)CCN1
InChIInChI=1S/C16H28F3N3O/c1-12-10-14(3-7-20-12)15(23)21-6-2-13-4-8-22(9-5-13)11-16(17,18)19/h12-14,20H,2-11H2,1H3,(H,21,23)/t12-,14-/m0/s1
InChIKeyKWCLAYQNGNVLKI-JSGCOSHPSA-N
XLogP2.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
2-methyl-N-[2-(4-methylcyclohexyl)ethyl]piperidine-4-carboxamide
CID 106740120
(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120632718
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide
CID 71978851
1-(1-hydroxybutan-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]urea
CID 111751253
N-ethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 51077622
2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
CID 119898449
(2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 120621777
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 106740605
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739949
(2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120645262

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide (CID 120638355) is (2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCCC2CCN(CC(F)(F)F)CC2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is KWCLAYQNGNVLKI-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H28F3N3O/c1-12-10-14(3-7-20-12)15(23)21-6-2-13-4-8-22(9-5-13)11-16(17,18)19/h12-14,20H,2-11H2,1H3,(H,21,23)/t12-,14-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120638355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).