[3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone

C20H27N3O3 — CID 132777609

IUPAC[3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCCC(O)(COc3cccc(C)c3)C2)n1
InChIInChI=1S/C20H27N3O3/c1-3-10-23-12-8-18(21-23)19(24)22-11-5-9-20(25,14-22)15-26-17-7-4-6-16(2)13-17/h4,6-8,12-13,25H,3,5,9-11,14-15H2,1-2H3
InChIKeyDSJISYRWXIHTPL-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.65
Rot. Bonds6

About [3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone

[3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone (PubChem CID 132777609) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is [3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
PubChem CID132777609
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name[3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCCC(O)(COc3cccc(C)c3)C2)n1
InChIInChI=1S/C20H27N3O3/c1-3-10-23-12-8-18(21-23)19(24)22-11-5-9-20(25,14-22)15-26-17-7-4-6-16(2)13-17/h4,6-8,12-13,25H,3,5,9-11,14-15H2,1-2H3
InChIKeyDSJISYRWXIHTPL-UHFFFAOYSA-N
XLogP2.65
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 132764056
[6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-pyridin-2-ylmethanone
CID 132764545
2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone
CID 132775743
1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 132764139
N-[1-[[4-hydroxy-1-(1-propylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123189
[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 155990699
1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 132764596
[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 155990807
2-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 132764302
(1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone
CID 155990942
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
CID 124965364
[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(3-methylphenyl)methanone
CID 155991254

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone?
The IUPAC name of [3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone (CID 132777609) is [3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone?
The canonical SMILES for [3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone is CCCn1ccc(C(=O)N2CCCC(O)(COc3cccc(C)c3)C2)n1.
What is the InChIKey of [3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone?
The InChIKey is DSJISYRWXIHTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-10-23-12-8-18(21-23)19(24)22-11-5-9-20(25,14-22)15-26-17-7-4-6-16(2)13-17/h4,6-8,12-13,25H,3,5,9-11,14-15H2,1-2H3.
What are the key properties of [3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone?
[3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone has a molecular weight of 357.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 132777609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).