N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide

C20H25FN4O2 — CID 95201886

IUPACN-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1
InChIInChI=1S/C20H25FN4O2/c1-13(2)20(27)22-11-18(26)25-9-3-4-15(12-25)19-17(10-23-24-19)14-5-7-16(21)8-6-14/h5-8,10,13,15H,3-4,9,11-12H2,1-2H3,(H,22,27)(H,23,24)/t15-/m1/s1
InChIKeyWYKFUNQCSWCIIO-OAHLLOKOSA-N
MW372.44 g/mol
LogP2.69
Rot. Bonds5

About N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide

N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide (PubChem CID 95201886) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide
PubChem CID95201886
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1
InChIInChI=1S/C20H25FN4O2/c1-13(2)20(27)22-11-18(26)25-9-3-4-15(12-25)19-17(10-23-24-19)14-5-7-16(21)8-6-14/h5-8,10,13,15H,3-4,9,11-12H2,1-2H3,(H,22,27)(H,23,24)/t15-/m1/s1
InChIKeyWYKFUNQCSWCIIO-OAHLLOKOSA-N
XLogP2.69
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 95216679
1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 70756873
N-[3-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]acetamide
CID 70731856
3-(4-chlorophenyl)-1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 110268799
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110268757
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 70775154
4-[[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 95220798
3-hydroxy-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56747337
1-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione
CID 95209428
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56741838
2-hydroxy-2-methyl-1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 56746262
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70722084

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide (CID 95201886) is N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide is CC(C)C(=O)NCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1.
What is the InChIKey of N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide?
The InChIKey is WYKFUNQCSWCIIO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-13(2)20(27)22-11-18(26)25-9-3-4-15(12-25)19-17(10-23-24-19)14-5-7-16(21)8-6-14/h5-8,10,13,15H,3-4,9,11-12H2,1-2H3,(H,22,27)(H,23,24)/t15-/m1/s1.
What are the key properties of N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide?
N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 372.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 95201886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).