(3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone

C16H23NO3 — CID 116568591

IUPAC(3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone
SMILESCCC1(C(=O)c2ccc(OC)c(OC)c2)CCCNC1
InChIInChI=1S/C16H23NO3/c1-4-16(8-5-9-17-11-16)15(18)12-6-7-13(19-2)14(10-12)20-3/h6-7,10,17H,4-5,8-9,11H2,1-3H3
InChIKeyZPHCAQFCZJNGHO-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.67
Rot. Bonds5

About (3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone

(3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone (PubChem CID 116568591) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone
PubChem CID116568591
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone
SMILESCCC1(C(=O)c2ccc(OC)c(OC)c2)CCCNC1
InChIInChI=1S/C16H23NO3/c1-4-16(8-5-9-17-11-16)15(18)12-6-7-13(19-2)14(10-12)20-3/h6-7,10,17H,4-5,8-9,11H2,1-3H3
InChIKeyZPHCAQFCZJNGHO-UHFFFAOYSA-N
XLogP2.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744940
(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569157
N-(3-chloro-4-methoxyphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132336
(3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
CID 116921712
(3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone
CID 116568738
3-ethyl-N-(2-methoxy-4-methylphenyl)piperidine-3-carboxamide
CID 63130989
(2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568719
(3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone
CID 116570190
(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744722
3-ethyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 63131997
3-ethyl-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide
CID 63132813
(3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone
CID 116568498

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone (CID 116568591) is (3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone is CCC1(C(=O)c2ccc(OC)c(OC)c2)CCCNC1.
What is the InChIKey of (3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone?
The InChIKey is ZPHCAQFCZJNGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-16(8-5-9-17-11-16)15(18)12-6-7-13(19-2)14(10-12)20-3/h6-7,10,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone?
(3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone has a molecular weight of 277.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone is sourced from PubChem (CID 116568591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).