(4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone

C15H22N2O3 — CID 79880599

IUPAC(4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)N2CCC(N)C(C)C2)c1
InChIInChI=1S/C15H22N2O3/c1-10-9-17(7-6-13(10)16)15(18)12-8-11(19-2)4-5-14(12)20-3/h4-5,8,10,13H,6-7,9,16H2,1-3H3
InChIKeyKZEKNVUHCSCNGX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.51
Rot. Bonds3

About (4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone

(4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone (PubChem CID 79880599) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone
PubChem CID79880599
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)N2CCC(N)C(C)C2)c1
InChIInChI=1S/C15H22N2O3/c1-10-9-17(7-6-13(10)16)15(18)12-8-11(19-2)4-5-14(12)20-3/h4-5,8,10,13H,6-7,9,16H2,1-3H3
InChIKeyKZEKNVUHCSCNGX-UHFFFAOYSA-N
XLogP1.51
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103807097
(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119592557
(2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262175
(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 63755995
(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 39910406
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
(4-amino-3-methylpiperidin-1-yl)-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119592562
(2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501379
1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119203
[3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
CID 119464934
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 114960668

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone (CID 79880599) is (4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone is COc1ccc(OC)c(C(=O)N2CCC(N)C(C)C2)c1.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone?
The InChIKey is KZEKNVUHCSCNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-9-17(7-6-13(10)16)15(18)12-8-11(19-2)4-5-14(12)20-3/h4-5,8,10,13H,6-7,9,16H2,1-3H3.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone?
(4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 79880599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).