(2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide

C17H21FN4O — CID 98761671

IUPAC(2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESNC(=O)[C@@H](c1ccc(F)cc1)N1CCCC[C@@H]1Cn1cccn1
InChIInChI=1S/C17H21FN4O/c18-14-7-5-13(6-8-14)16(17(19)23)22-11-2-1-4-15(22)12-21-10-3-9-20-21/h3,5-10,15-16H,1-2,4,11-12H2,(H2,19,23)/t15-,16-/m1/s1
InChIKeyIRXOHHDIYYPKFV-HZPDHXFCSA-N
MW316.38 g/mol
LogP2.10
Rot. Bonds5

About (2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide

(2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 98761671) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID98761671
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name(2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESNC(=O)[C@@H](c1ccc(F)cc1)N1CCCC[C@@H]1Cn1cccn1
InChIInChI=1S/C17H21FN4O/c18-14-7-5-13(6-8-14)16(17(19)23)22-11-2-1-4-15(22)12-21-10-3-9-20-21/h3,5-10,15-16H,1-2,4,11-12H2,(H2,19,23)/t15-,16-/m1/s1
InChIKeyIRXOHHDIYYPKFV-HZPDHXFCSA-N
XLogP2.10
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426199
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426148
(2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-(4-fluorophenyl)acetamide
CID 95315338
(2S)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-(4-fluorophenyl)acetamide
CID 95315339
(2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129427084
(2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426089
1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
CID 56802669
(2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95609157
(1R)-1-(3-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 95343853
(2R)-2-(4-cyanophenyl)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 97237736
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602840
(4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone
CID 167905137

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 98761671) is (2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide is NC(=O)[C@@H](c1ccc(F)cc1)N1CCCC[C@@H]1Cn1cccn1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is IRXOHHDIYYPKFV-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-14-7-5-13(6-8-14)16(17(19)23)22-11-2-1-4-15(22)12-21-10-3-9-20-21/h3,5-10,15-16H,1-2,4,11-12H2,(H2,19,23)/t15-,16-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide?
(2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 98761671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).