(3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide

C14H19F3N4O2 — CID 172908503

IUPAC(3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide
SMILESC[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C14H19F3N4O2/c1-8(10-7-20(2)19-11(10)14(15,16)17)13(23)21-5-3-4-9(6-21)12(18)22/h7-9H,3-6H2,1-2H3,(H2,18,22)/t8-,9-/m0/s1
InChIKeyCYDVRWFNSPMYQH-IUCAKERBSA-N
MW332.33 g/mol
LogP1.27
Rot. Bonds3

About (3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide

(3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide (PubChem CID 172908503) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is (3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide
PubChem CID172908503
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name(3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide
SMILESC[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C14H19F3N4O2/c1-8(10-7-20(2)19-11(10)14(15,16)17)13(23)21-5-3-4-9(6-21)12(18)22/h7-9H,3-6H2,1-2H3,(H2,18,22)/t8-,9-/m0/s1
InChIKeyCYDVRWFNSPMYQH-IUCAKERBSA-N
XLogP1.27
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
CID 107019311
1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
CID 56811023
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
1-(2-chloropropanoyl)piperidine-3-carboxamide
CID 24691104
1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122007451
ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 156863648
(3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
CID 95167870
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide
CID 94164900
1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide
CID 134037835
(3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide
CID 32715892
1-tert-butylpiperidine-3-carboxamide
CID 59656300
(3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide
CID 32735224

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide (CID 172908503) is (3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide is C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of (3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide?
The InChIKey is CYDVRWFNSPMYQH-IUCAKERBSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-8(10-7-20(2)19-11(10)14(15,16)17)13(23)21-5-3-4-9(6-21)12(18)22/h7-9H,3-6H2,1-2H3,(H2,18,22)/t8-,9-/m0/s1.
What are the key properties of (3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide?
(3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 172908503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).