2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone

C19H25N3O3 — CID 95280540

IUPAC2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
SMILESCOc1cccc(COCC(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1
InChIInChI=1S/C19H25N3O3/c1-15-10-20-22(11-15)17-6-4-8-21(12-17)19(23)14-25-13-16-5-3-7-18(9-16)24-2/h3,5,7,9-11,17H,4,6,8,12-14H2,1-2H3/t17-/m0/s1
InChIKeyIZOPQTWPDRAPOF-KRWDZBQOSA-N
MW343.43 g/mol
LogP2.58
Rot. Bonds6

About 2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone

2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 95280540) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
PubChem CID95280540
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
SMILESCOc1cccc(COCC(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1
InChIInChI=1S/C19H25N3O3/c1-15-10-20-22(11-15)17-6-4-8-21(12-17)19(23)14-25-13-16-5-3-7-18(9-16)24-2/h3,5,7,9-11,17H,4,6,8,12-14H2,1-2H3/t17-/m0/s1
InChIKeyIZOPQTWPDRAPOF-KRWDZBQOSA-N
XLogP2.58
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 126772873
2-[(3-methoxyphenyl)methoxy]-1-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 97064034
4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide
CID 95383166
4-[2-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 95303871
2-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119881442
4-amino-3-methoxy-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 120596704
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95303199
(3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124569986
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 119881484
(2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95736530
8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane
CID 154583235

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone (CID 95280540) is 2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone is COc1cccc(COCC(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is IZOPQTWPDRAPOF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-15-10-20-22(11-15)17-6-4-8-21(12-17)19(23)14-25-13-16-5-3-7-18(9-16)24-2/h3,5,7,9-11,17H,4,6,8,12-14H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone?
2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 343.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95280540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).