[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone

C23H33N3O2 — CID 24793119

IUPAC[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC(CO)(CCCc3ccccc3)C2)n(C)n1
InChIInChI=1S/C23H33N3O2/c1-3-9-20-16-21(25(2)24-20)22(28)26-15-8-14-23(17-26,18-27)13-7-12-19-10-5-4-6-11-19/h4-6,10-11,16,27H,3,7-9,12-15,17-18H2,1-2H3
InChIKeyPUWZEKJQFYJKPE-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.61
Rot. Bonds8

About [3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone

[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone (PubChem CID 24793119) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is [3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
PubChem CID24793119
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC(CO)(CCCc3ccccc3)C2)n(C)n1
InChIInChI=1S/C23H33N3O2/c1-3-9-20-16-21(25(2)24-20)22(28)26-15-8-14-23(17-26,18-27)13-7-12-19-10-5-4-6-11-19/h4-6,10-11,16,27H,3,7-9,12-15,17-18H2,1-2H3
InChIKeyPUWZEKJQFYJKPE-UHFFFAOYSA-N
XLogP3.61
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone (CID 24793119) is [3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone is CCCc1cc(C(=O)N2CCCC(CO)(CCCc3ccccc3)C2)n(C)n1.
What is the InChIKey of [3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The InChIKey is PUWZEKJQFYJKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-3-9-20-16-21(25(2)24-20)22(28)26-15-8-14-23(17-26,18-27)13-7-12-19-10-5-4-6-11-19/h4-6,10-11,16,27H,3,7-9,12-15,17-18H2,1-2H3.
What are the key properties of [3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone has a molecular weight of 383.54 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 24793119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).