[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C18H23N3O3 — CID 70713083

IUPAC[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCOc1cccc(OCC2CCCN(C(=O)c3cnn(C)c3)C2)c1
InChIInChI=1S/C18H23N3O3/c1-20-12-15(10-19-20)18(22)21-8-4-5-14(11-21)13-24-17-7-3-6-16(9-17)23-2/h3,6-7,9-10,12,14H,4-5,8,11,13H2,1-2H3
InChIKeyYVZADWJAZRIUIW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.36
Rot. Bonds5

About [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 70713083) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID70713083
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCOc1cccc(OCC2CCCN(C(=O)c3cnn(C)c3)C2)c1
InChIInChI=1S/C18H23N3O3/c1-20-12-15(10-19-20)18(22)21-8-4-5-14(11-21)13-24-17-7-3-6-16(9-17)23-2/h3,6-7,9-10,12,14H,4-5,8,11,13H2,1-2H3
InChIKeyYVZADWJAZRIUIW-UHFFFAOYSA-N
XLogP2.36
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 70713083) is [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is COc1cccc(OCC2CCCN(C(=O)c3cnn(C)c3)C2)c1.
What is the InChIKey of [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is YVZADWJAZRIUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-20-12-15(10-19-20)18(22)21-8-4-5-14(11-21)13-24-17-7-3-6-16(9-17)23-2/h3,6-7,9-10,12,14H,4-5,8,11,13H2,1-2H3.
What are the key properties of [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 70713083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).