[1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone

C17H23NO2 — CID 110485731

IUPAC[1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(C2(C(=O)N3CCCCC3C)CC2)cc1
InChIInChI=1S/C17H23NO2/c1-13-5-3-4-12-18(13)16(19)17(10-11-17)14-6-8-15(20-2)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3
InChIKeyPJEPBDWVJFTLOX-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.13
Rot. Bonds3

About [1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone

[1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 110485731) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone
PubChem CID110485731
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(C2(C(=O)N3CCCCC3C)CC2)cc1
InChIInChI=1S/C17H23NO2/c1-13-5-3-4-12-18(13)16(19)17(10-11-17)14-6-8-15(20-2)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3
InChIKeyPJEPBDWVJFTLOX-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[1-(4-methoxyphenyl)cyclopropyl]-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124954939
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
CID 78791464
(2R)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-N-phenylpyrrolidine-2-carboxamide
CID 146500299
[1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 91918871
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
[1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91919120
[1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121147027
1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119792
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
[1-(4-methoxyphenyl)cyclopropyl]-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 91831896

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone (CID 110485731) is [1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone is COc1ccc(C2(C(=O)N3CCCCC3C)CC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is PJEPBDWVJFTLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13-5-3-4-12-18(13)16(19)17(10-11-17)14-6-8-15(20-2)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone?
[1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110485731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).