(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide

C10H16F3N3O2 — CID 26598322

IUPAC(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC(N)=O)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H16F3N3O2/c1-6(8(17)15-9(14)18)16-4-2-3-7(5-16)10(11,12)13/h6-7H,2-5H2,1H3,(H3,14,15,17,18)/t6-,7+/m0/s1
InChIKeyCLJNMHXMCLNCPJ-NKWVEPMBSA-N
MW267.25 g/mol
LogP0.84
Rot. Bonds2

About (2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide

(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide (PubChem CID 26598322) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
PubChem CID26598322
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC(N)=O)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H16F3N3O2/c1-6(8(17)15-9(14)18)16-4-2-3-7(5-16)10(11,12)13/h6-7H,2-5H2,1H3,(H3,14,15,17,18)/t6-,7+/m0/s1
InChIKeyCLJNMHXMCLNCPJ-NKWVEPMBSA-N
XLogP0.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836067
(2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 129429877
2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide
CID 79408805
1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
CID 56811023
(2R)-N-[(1S)-1-phenylethyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27098394
ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81360759
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 17411208
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide
CID 112630191
N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46630533
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444435
ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine
CID 178173299
N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46801609

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide (CID 26598322) is (2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide is C[C@@H](C(=O)NC(N)=O)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The InChIKey is CLJNMHXMCLNCPJ-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-6(8(17)15-9(14)18)16-4-2-3-7(5-16)10(11,12)13/h6-7H,2-5H2,1H3,(H3,14,15,17,18)/t6-,7+/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide has a molecular weight of 267.25 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 26598322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).