(2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone

C15H21NO3 — CID 116569471

IUPAC(2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
SMILESCOc1ccc(OC)c(C(=O)C2(C)CCCNC2)c1
InChIInChI=1S/C15H21NO3/c1-15(7-4-8-16-10-15)14(17)12-9-11(18-2)5-6-13(12)19-3/h5-6,9,16H,4,7-8,10H2,1-3H3
InChIKeyUHKWLLMFNGVHIC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.28
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone

(2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone (PubChem CID 116569471) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
PubChem CID116569471
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
SMILESCOc1ccc(OC)c(C(=O)C2(C)CCCNC2)c1
InChIInChI=1S/C15H21NO3/c1-15(7-4-8-16-10-15)14(17)12-9-11(18-2)5-6-13(12)19-3/h5-6,9,16H,4,7-8,10H2,1-3H3
InChIKeyUHKWLLMFNGVHIC-UHFFFAOYSA-N
XLogP2.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982097
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454
N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571
(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567687
(4-methylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569340
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921918
3-(1,4-diazepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-one
CID 82064893
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921076
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119401629
N-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide
CID 136516553
4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863923
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone (CID 116569471) is (2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone is COc1ccc(OC)c(C(=O)C2(C)CCCNC2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone?
The InChIKey is UHKWLLMFNGVHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(7-4-8-16-10-15)14(17)12-9-11(18-2)5-6-13(12)19-3/h5-6,9,16H,4,7-8,10H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone?
(2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 116569471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).