1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone

C23H29FN4O3 — CID 110236655

IUPAC1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCC1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)Cc3ccccc3F)CC2)CC(C)O1
InChIInChI=1S/C23H29FN4O3/c1-15-13-28(14-16(2)31-15)23(30)19-12-25-26-22(19)17-7-9-27(10-8-17)21(29)11-18-5-3-4-6-20(18)24/h3-6,12,15-17H,7-11,13-14H2,1-2H3,(H,25,26)
InChIKeyVOCFCCZLUSCGIH-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.75
Rot. Bonds4

About 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone

1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 110236655) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
PubChem CID110236655
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC Name1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCC1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)Cc3ccccc3F)CC2)CC(C)O1
InChIInChI=1S/C23H29FN4O3/c1-15-13-28(14-16(2)31-15)23(30)19-12-25-26-22(19)17-7-9-27(10-8-17)21(29)11-18-5-3-4-6-20(18)24/h3-6,12,15-17H,7-11,13-14H2,1-2H3,(H,25,26)
InChIKeyVOCFCCZLUSCGIH-UHFFFAOYSA-N
XLogP2.75
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)carbonyl]morpholine
CID 16190916
N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 162658317
N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
CID 166206956
US11077113, Example 17
CID 162533427
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 35436856
N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 39977902
2-(4-fluorobenzyl)-4-[(3-methyl-1H-pyrazol-4-yl)carbonyl]morpholine
CID 45227096
1-[5-(4-fluorophenyl)-1H-pyrazole-3-carbonyl]-4-methoxypiperidine
CID 45505377
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 45864181
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone
CID 56820908
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 56876167
(3S*,4R*)-3-methoxy-1-[4-(1H-pyrazol-3-yl)benzoyl]piperidin-4-amine
CID 56877456

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone (CID 110236655) is 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone is CC1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)Cc3ccccc3F)CC2)CC(C)O1.
What is the InChIKey of 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is VOCFCCZLUSCGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-15-13-28(14-16(2)31-15)23(30)19-12-25-26-22(19)17-7-9-27(10-8-17)21(29)11-18-5-3-4-6-20(18)24/h3-6,12,15-17H,7-11,13-14H2,1-2H3,(H,25,26).
What are the key properties of 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone?
1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 428.51 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 110236655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).