N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide

C14H20F2N4O2 — CID 97206852

IUPACN-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@H]1CCCCN1C(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C14H20F2N4O2/c1-10(21)17-7-5-11-4-2-3-8-19(11)13(22)12-6-9-20(18-12)14(15)16/h6,9,11,14H,2-5,7-8H2,1H3,(H,17,21)/t11-/m1/s1
InChIKeyVXHSXUMQGHWBFW-LLVKDONJSA-N
MW314.34 g/mol
LogP1.80
Rot. Bonds5

About N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide

N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide (PubChem CID 97206852) has the molecular formula C14H20F2N4O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
PubChem CID97206852
Molecular FormulaC14H20F2N4O2
Molecular Weight314.34 g/mol
Exact Mass314.16
IUPAC NameN-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@H]1CCCCN1C(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C14H20F2N4O2/c1-10(21)17-7-5-11-4-2-3-8-19(11)13(22)12-6-9-20(18-12)14(15)16/h6,9,11,14H,2-5,7-8H2,1H3,(H,17,21)/t11-/m1/s1
InChIKeyVXHSXUMQGHWBFW-LLVKDONJSA-N
XLogP1.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 42114508
N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 42191599
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 24817144
N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide
CID 70738477
(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine
CID 92634248
[2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122367
N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide
CID 70786735
N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 97117572
N-[2-[(2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 97125389
N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 97125390
2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide
CID 72846773

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide (CID 97206852) is N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide is CC(=O)NCC[C@H]1CCCCN1C(=O)c1ccn(C(F)F)n1.
What is the InChIKey of N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide?
The InChIKey is VXHSXUMQGHWBFW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20F2N4O2/c1-10(21)17-7-5-11-4-2-3-8-19(11)13(22)12-6-9-20(18-12)14(15)16/h6,9,11,14H,2-5,7-8H2,1H3,(H,17,21)/t11-/m1/s1.
What are the key properties of N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide?
N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide has a molecular weight of 314.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 97206852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).