(3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone

C18H23N3O2 — CID 45147693

IUPAC(3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone
SMILESCC1CC(C)CN(C(=O)c2ccn(COc3ccccc3)n2)C1
InChIInChI=1S/C18H23N3O2/c1-14-10-15(2)12-20(11-14)18(22)17-8-9-21(19-17)13-23-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3
InChIKeyLXAAIKHQECIKBR-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.04
Rot. Bonds4

About (3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone

(3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone (PubChem CID 45147693) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone
PubChem CID45147693
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone
SMILESCC1CC(C)CN(C(=O)c2ccn(COc3ccccc3)n2)C1
InChIInChI=1S/C18H23N3O2/c1-14-10-15(2)12-20(11-14)18(22)17-8-9-21(19-17)13-23-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3
InChIKeyLXAAIKHQECIKBR-UHFFFAOYSA-N
XLogP3.04
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone
CID 56725198
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-(phenoxymethyl)pyrazol-3-yl]methanone
CID 19472780
[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 35326018
[1-[(4-bromophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 35527935
N-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19278645
N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271179
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 4863104
N-(1-adamantyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581490
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]methanone
CID 95754521
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 75358425
2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19623477

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone (CID 45147693) is (3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone is CC1CC(C)CN(C(=O)c2ccn(COc3ccccc3)n2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone?
The InChIKey is LXAAIKHQECIKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-10-15(2)12-20(11-14)18(22)17-8-9-21(19-17)13-23-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone?
(3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 45147693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).