N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide

C17H19FN4O2 — CID 94801589

IUPACN-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C17H19FN4O2/c1-12(23)19-14-5-3-8-21(11-14)17(24)16-7-9-22(20-16)15-6-2-4-13(18)10-15/h2,4,6-7,9-10,14H,3,5,8,11H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyCREYUSJKPJXXKU-CQSZACIVSA-N
MW330.36 g/mol
LogP1.75
Rot. Bonds3

About N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide

N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide (PubChem CID 94801589) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide
PubChem CID94801589
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C17H19FN4O2/c1-12(23)19-14-5-3-8-21(11-14)17(24)16-7-9-22(20-16)15-6-2-4-13(18)10-15/h2,4,6-7,9-10,14H,3,5,8,11H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyCREYUSJKPJXXKU-CQSZACIVSA-N
XLogP1.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-fluorophenyl)pyrazol-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95583484
N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide
CID 47924929
[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119493699
2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 94800796
[1-(3-fluorophenyl)pyrazol-3-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023506
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47881764
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428155
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124687400
N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide
CID 87005926
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47076704
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide (CID 94801589) is N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1.
What is the InChIKey of N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide?
The InChIKey is CREYUSJKPJXXKU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-12(23)19-14-5-3-8-21(11-14)17(24)16-7-9-22(20-16)15-6-2-4-13(18)10-15/h2,4,6-7,9-10,14H,3,5,8,11H2,1H3,(H,19,23)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide?
N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide has a molecular weight of 330.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 94801589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).