(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone

C16H24N2O2 — CID 28689913

IUPAC(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1N
InChIInChI=1S/C16H24N2O2/c1-4-20-15-9-8-13(10-14(15)17)16(19)18-11(2)6-5-7-12(18)3/h8-12H,4-7,17H2,1-3H3/t11-,12-/m0/s1
InChIKeyAYYDFVCFPCWXQH-RYUDHWBXSA-N
MW276.38 g/mol
LogP3.07
Rot. Bonds3

About (3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone

(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 28689913) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID28689913
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1N
InChIInChI=1S/C16H24N2O2/c1-4-20-15-9-8-13(10-14(15)17)16(19)18-11(2)6-5-7-12(18)3/h8-12H,4-7,17H2,1-3H3/t11-,12-/m0/s1
InChIKeyAYYDFVCFPCWXQH-RYUDHWBXSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 976266
(2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone
CID 110762234
3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide
CID 83003513
[4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 51391414
(3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 28689911
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411281
(3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 61091912
(3-amino-4-ethoxyphenyl)-cyclopropylmethanone
CID 82152472
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61094073
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 40537881
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone (CID 28689913) is (3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone is CCOc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1N.
What is the InChIKey of (3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is AYYDFVCFPCWXQH-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-20-15-9-8-13(10-14(15)17)16(19)18-11(2)6-5-7-12(18)3/h8-12H,4-7,17H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 28689913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).