[1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone

C18H25NO2 — CID 110436782

IUPAC[1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1C1(C(=O)N2CCCC(C)C2)CCC1
InChIInChI=1S/C18H25NO2/c1-14-7-5-12-19(13-14)17(20)18(10-6-11-18)15-8-3-4-9-16(15)21-2/h3-4,8-9,14H,5-7,10-13H2,1-2H3
InChIKeyNXCZFYNHFNCQEH-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.38
Rot. Bonds3

About [1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone

[1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 110436782) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID110436782
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name[1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1C1(C(=O)N2CCCC(C)C2)CCC1
InChIInChI=1S/C18H25NO2/c1-14-7-5-12-19(13-14)17(20)18(10-6-11-18)15-8-3-4-9-16(15)21-2/h3-4,8-9,14H,5-7,10-13H2,1-2H3
InChIKeyNXCZFYNHFNCQEH-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 97064118
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 71915693
[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 30945052
[3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 167897093
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-methoxyphenyl)cyclopropyl]methanone;hydrochloride
CID 120816573
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168175
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 121190644
[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone
CID 110436785
2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone
CID 82037990
[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 155981877
[1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121187521

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone (CID 110436782) is [1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone is COc1ccccc1C1(C(=O)N2CCCC(C)C2)CCC1.
What is the InChIKey of [1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is NXCZFYNHFNCQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14-7-5-12-19(13-14)17(20)18(10-6-11-18)15-8-3-4-9-16(15)21-2/h3-4,8-9,14H,5-7,10-13H2,1-2H3.
What are the key properties of [1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone?
[1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 287.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110436782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).