(2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide

C12H16F2N4O2 — CID 164642328

IUPAC(2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCCN1C(=O)Cn1ccc(C(F)F)n1
InChIInChI=1S/C12H16F2N4O2/c13-11(14)8-4-6-17(16-8)7-10(19)18-5-2-1-3-9(18)12(15)20/h4,6,9,11H,1-3,5,7H2,(H2,15,20)/t9-/m0/s1
InChIKeyCVQYHPCMVBEWSB-VIFPVBQESA-N
MW286.28 g/mol
LogP0.69
Rot. Bonds4

About (2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide

(2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide (PubChem CID 164642328) has the molecular formula C12H16F2N4O2 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide
PubChem CID164642328
Molecular FormulaC12H16F2N4O2
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name(2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCCN1C(=O)Cn1ccc(C(F)F)n1
InChIInChI=1S/C12H16F2N4O2/c13-11(14)8-4-6-17(16-8)7-10(19)18-5-2-1-3-9(18)12(15)20/h4,6,9,11H,1-3,5,7H2,(H2,15,20)/t9-/m0/s1
InChIKeyCVQYHPCMVBEWSB-VIFPVBQESA-N
XLogP0.69
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]piperidine-1-carboxylate
CID 3608528
8-methyl-N-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908764
N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)cyclohex-3-enecarboxamide
CID 71808053
(1S,11R)-2-[2-(3-methylpyrazol-1-yl)acetyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201270
N-(hexan-2-ylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4350479
N-[(E)-hexan-2-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9658809
N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide
CID 39948535
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 45824035
N-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide
CID 71899330
({1-[3-(1-methyl-1H-pyrazol-5-yl)propanoyl]piperidin-2-yl}methyl)amine
CID 74232084
[2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
CID 95891868
(2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one
CID 97239186

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide (CID 164642328) is (2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide is NC(=O)[C@@H]1CCCCN1C(=O)Cn1ccc(C(F)F)n1.
What is the InChIKey of (2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide?
The InChIKey is CVQYHPCMVBEWSB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16F2N4O2/c13-11(14)8-4-6-17(16-8)7-10(19)18-5-2-1-3-9(18)12(15)20/h4,6,9,11H,1-3,5,7H2,(H2,15,20)/t9-/m0/s1.
What are the key properties of (2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide?
(2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide has a molecular weight of 286.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 164642328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).