(2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone

C16H24N2O3 — CID 28689862

IUPAC(2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCOc1cc(N)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC
InChIInChI=1S/C16H24N2O3/c1-10-6-5-7-11(2)18(10)16(19)12-8-14(20-3)15(21-4)9-13(12)17/h8-11H,5-7,17H2,1-4H3/t10-,11-/m0/s1
InChIKeyXROHDCHIGKJPAL-QWRGUYRKSA-N
MW292.38 g/mol
LogP2.69
Rot. Bonds3

About (2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone

(2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 28689862) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID28689862
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCOc1cc(N)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC
InChIInChI=1S/C16H24N2O3/c1-10-6-5-7-11(2)18(10)16(19)12-8-14(20-3)15(21-4)9-13(12)17/h8-11H,5-7,17H2,1-4H3/t10-,11-/m0/s1
InChIKeyXROHDCHIGKJPAL-QWRGUYRKSA-N
XLogP2.69
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4,5-dimethoxyphenyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 16782848
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 27271524
(2-amino-4-chlorophenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690156
(2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690158
cyclobutyl 2-amino-4,5-dimethoxybenzoate
CID 62217231
[5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 91679691
(2-amino-4,5-dimethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211722
(2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66392049
(2-amino-4,5-dimethoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210017
2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide
CID 94811357
2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide
CID 94811360
(2-amino-4,5-dimethoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43246100

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone (CID 28689862) is (2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone is COc1cc(N)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC.
What is the InChIKey of (2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is XROHDCHIGKJPAL-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10-6-5-7-11(2)18(10)16(19)12-8-14(20-3)15(21-4)9-13(12)17/h8-11H,5-7,17H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
(2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 28689862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).