[1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C22H29N3O2 — CID 70769822

IUPAC[1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCOCC1(C(=O)N2CCC(c3[nH]ncc3-c3cccc(C)c3)CC2)CCC1
InChIInChI=1S/C22H29N3O2/c1-16-5-3-6-18(13-16)19-14-23-24-20(19)17-7-11-25(12-8-17)21(26)22(15-27-2)9-4-10-22/h3,5-6,13-14,17H,4,7-12,15H2,1-2H3,(H,23,24)
InChIKeyJZAWYACDJMLLMQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.91
Rot. Bonds5

About [1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

[1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 70769822) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID70769822
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCOCC1(C(=O)N2CCC(c3[nH]ncc3-c3cccc(C)c3)CC2)CCC1
InChIInChI=1S/C22H29N3O2/c1-16-5-3-6-18(13-16)19-14-23-24-20(19)17-7-11-25(12-8-17)21(26)22(15-27-2)9-4-10-22/h3,5-6,13-14,17H,4,7-12,15H2,1-2H3,(H,23,24)
InChIKeyJZAWYACDJMLLMQ-UHFFFAOYSA-N
XLogP3.91
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of [1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 70769822) is [1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is COCC1(C(=O)N2CCC(c3[nH]ncc3-c3cccc(C)c3)CC2)CCC1.
What is the InChIKey of [1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is JZAWYACDJMLLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-5-3-6-18(13-16)19-14-23-24-20(19)17-7-11-25(12-8-17)21(26)22(15-27-2)9-4-10-22/h3,5-6,13-14,17H,4,7-12,15H2,1-2H3,(H,23,24).
What are the key properties of [1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
[1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 367.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70769822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).