[1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone

C21H27FN4O2 — CID 45215184

IUPAC[1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1cc(CN2CCCC(C(=O)N3CCOCC3)C2)c(-c2ccccc2F)n1
InChIInChI=1S/C21H27FN4O2/c1-24-13-17(20(23-24)18-6-2-3-7-19(18)22)15-25-8-4-5-16(14-25)21(27)26-9-11-28-12-10-26/h2-3,6-7,13,16H,4-5,8-12,14-15H2,1H3
InChIKeyYHKBPVCBTIBTAJ-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.30
Rot. Bonds4

About [1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 45215184) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is [1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID45215184
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name[1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1cc(CN2CCCC(C(=O)N3CCOCC3)C2)c(-c2ccccc2F)n1
InChIInChI=1S/C21H27FN4O2/c1-24-13-17(20(23-24)18-6-2-3-7-19(18)22)15-25-8-4-5-16(14-25)21(27)26-9-11-28-12-10-26/h2-3,6-7,13,16H,4-5,8-12,14-15H2,1H3
InChIKeyYHKBPVCBTIBTAJ-UHFFFAOYSA-N
XLogP2.30
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (4-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-3-morpholinyl)acetate
CID 16189986
Tert-butyl 4-[1-(3-fluorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16023950
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16189902
N-(2-fluorobenzyl)-3-{1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}propanamide
CID 16190899
N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24816994
1-[(2-fluorophenyl)methyl]-6-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24819201
ethyl 1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidine-2-carboxylate
CID 16187266
(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)(morpholino)methanone
CID 1340783
1-(2,3-difluorobenzyl)-3-{[[(1,3-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino]methyl}-3-hydroxy-2-piperidinone
CID 45250380
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 49778692
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(1-piperidinylcarbonyl)piperidine
CID 16189158

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 45215184) is [1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone is Cn1cc(CN2CCCC(C(=O)N3CCOCC3)C2)c(-c2ccccc2F)n1.
What is the InChIKey of [1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is YHKBPVCBTIBTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-24-13-17(20(23-24)18-6-2-3-7-19(18)22)15-25-8-4-5-16(14-25)21(27)26-9-11-28-12-10-26/h2-3,6-7,13,16H,4-5,8-12,14-15H2,1H3.
What are the key properties of [1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 386.47 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 45215184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).