[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone

C16H21NO2 — CID 30945052

IUPAC[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1C1(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H21NO2/c1-19-14-8-4-3-7-13(14)16(9-10-16)15(18)17-11-5-2-6-12-17/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyABFJWJMXGSXWPG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.74
Rot. Bonds3

About [1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone

[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone (PubChem CID 30945052) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
PubChem CID30945052
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1C1(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H21NO2/c1-19-14-8-4-3-7-13(14)16(9-10-16)15(18)17-11-5-2-6-12-17/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyABFJWJMXGSXWPG-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.74
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-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168175
[1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 110436782
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-methoxyphenyl)cyclopropyl]methanone;hydrochloride
CID 120816573
2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone
CID 82037990
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone
CID 115055901
[1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343425
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 122332260
[1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 139023150
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
CID 110436863

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone (CID 30945052) is [1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone is COc1ccccc1C1(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone?
The InChIKey is ABFJWJMXGSXWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-14-8-4-3-7-13(14)16(9-10-16)15(18)17-11-5-2-6-12-17/h3-4,7-8H,2,5-6,9-12H2,1H3.
What are the key properties of [1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone?
[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone has a molecular weight of 259.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 30945052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).