(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone

C18H25NO3 — CID 45214819

IUPAC(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCN(C3CCC3)C2)c(OC)c1
InChIInChI=1S/C18H25NO3/c1-21-15-8-9-16(17(11-15)22-2)18(20)13-5-4-10-19(12-13)14-6-3-7-14/h8-9,11,13-14H,3-7,10,12H2,1-2H3
InChIKeyMKNOOJFMMRTJJM-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.15
Rot. Bonds5

About (1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone

(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone (PubChem CID 45214819) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
PubChem CID45214819
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCN(C3CCC3)C2)c(OC)c1
InChIInChI=1S/C18H25NO3/c1-21-15-8-9-16(17(11-15)22-2)18(20)13-5-4-10-19(12-13)14-6-3-7-14/h8-9,11,13-14H,3-7,10,12H2,1-2H3
InChIKeyMKNOOJFMMRTJJM-UHFFFAOYSA-N
XLogP3.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 97138740
(1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone
CID 134203197
(2,4-dimethoxyphenyl)-[(3S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25460173
(2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
CID 95730182
[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
CID 26400044
(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone
CID 65391983
[1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
CID 56873653
(2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone
CID 25492240
(2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
CID 45245905
(4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone
CID 105097800
[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 25279925
(2,4-dimethoxyphenyl)-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 25364455

Frequently Asked Questions

What is the IUPAC name of (1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of (1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone (CID 45214819) is (1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for (1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)C2CCCN(C3CCC3)C2)c(OC)c1.
What is the InChIKey of (1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone?
The InChIKey is MKNOOJFMMRTJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-21-15-8-9-16(17(11-15)22-2)18(20)13-5-4-10-19(12-13)14-6-3-7-14/h8-9,11,13-14H,3-7,10,12H2,1-2H3.
What are the key properties of (1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone?
(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone has a molecular weight of 303.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 45214819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).