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

C16H26F3N3O2 — CID 96569146

IUPAC(2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide
SMILESCCN1CCCC[C@H]1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H26F3N3O2/c1-2-21-8-4-3-5-13(21)14(23)20-11-12-6-9-22(10-7-12)15(24)16(17,18)19/h12-13H,2-11H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyKGANKKJUZUPAHJ-ZDUSSCGKSA-N
MW349.40 g/mol
LogP1.78
Rot. Bonds4

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

(2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide (PubChem CID 96569146) has the molecular formula C16H26F3N3O2 and a molecular weight of 349.40 g/mol. Its IUPAC name is (2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide
PubChem CID96569146
Molecular FormulaC16H26F3N3O2
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC Name(2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide
SMILESCCN1CCCC[C@H]1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H26F3N3O2/c1-2-21-8-4-3-5-13(21)14(23)20-11-12-6-9-22(10-7-12)15(24)16(17,18)19/h12-13H,2-11H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyKGANKKJUZUPAHJ-ZDUSSCGKSA-N
XLogP1.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 108932797
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119336677
3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119806615
2-amino-3-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pentanamide
CID 119806640
2-amino-3-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pentanamide;hydrochloride
CID 119806639
(2R)-2-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 119336692
2-(1-hydroxycyclopentyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 111540531
1-ethyl-N-[(2-propan-2-yloxolan-3-yl)methyl]piperidine-2-carboxamide
CID 71977590
(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 66936572
2-methyl-3-methylsulfanyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 71983925
3-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]butanamide
CID 120501736
(2E,4E)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide
CID 75408168

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide (CID 96569146) is (2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide is CCN1CCCC[C@H]1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of (2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide?
The InChIKey is KGANKKJUZUPAHJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26F3N3O2/c1-2-21-8-4-3-5-13(21)14(23)20-11-12-6-9-22(10-7-12)15(24)16(17,18)19/h12-13H,2-11H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of (2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide?
(2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 96569146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).