4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine

C20H28N4O2 — CID 45219237

IUPAC4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine
SMILESCOc1ccccc1-n1cc(CN2CCCC(N3CCOCC3)C2)cn1
InChIInChI=1S/C20H28N4O2/c1-25-20-7-3-2-6-19(20)24-15-17(13-21-24)14-22-8-4-5-18(16-22)23-9-11-26-12-10-23/h2-3,6-7,13,15,18H,4-5,8-12,14,16H2,1H3
InChIKeyMHSIVGJYRPMRKH-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.18
Rot. Bonds5

About 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine

4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine (PubChem CID 45219237) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine
PubChem CID45219237
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine
SMILESCOc1ccccc1-n1cc(CN2CCCC(N3CCOCC3)C2)cn1
InChIInChI=1S/C20H28N4O2/c1-25-20-7-3-2-6-19(20)24-15-17(13-21-24)14-22-8-4-5-18(16-22)23-9-11-26-12-10-23/h2-3,6-7,13,15,18H,4-5,8-12,14,16H2,1H3
InChIKeyMHSIVGJYRPMRKH-UHFFFAOYSA-N
XLogP2.18
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45216724
(3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 99946181
4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine
CID 131935843
2-[(2S)-1-cyclopentyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28925095
8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane
CID 156609533
1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine
CID 28955712
(5S)-9-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97186663
(8aR)-2-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 99933028
(7S,9aR)-2-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56852323
1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
CID 45237596
4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine
CID 172905640
2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45198197

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine?
The IUPAC name of 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine (CID 45219237) is 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine is COc1ccccc1-n1cc(CN2CCCC(N3CCOCC3)C2)cn1.
What is the InChIKey of 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine?
The InChIKey is MHSIVGJYRPMRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-25-20-7-3-2-6-19(20)24-15-17(13-21-24)14-22-8-4-5-18(16-22)23-9-11-26-12-10-23/h2-3,6-7,13,15,18H,4-5,8-12,14,16H2,1H3.
What are the key properties of 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine?
4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine has a molecular weight of 356.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine is sourced from PubChem (CID 45219237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).