(3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone

C16H24N2O2 — CID 28689911

IUPAC(3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1N
InChIInChI=1S/C16H24N2O2/c1-4-20-15-6-5-13(8-14(15)17)16(19)18-9-11(2)7-12(3)10-18/h5-6,8,11-12H,4,7,9-10,17H2,1-3H3/t11-,12-/m1/s1
InChIKeyPWOTTYOQPOKWQW-VXGBXAGGSA-N
MW276.38 g/mol
LogP2.79
Rot. Bonds3

About (3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone

(3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone (PubChem CID 28689911) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
PubChem CID28689911
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1N
InChIInChI=1S/C16H24N2O2/c1-4-20-15-6-5-13(8-14(15)17)16(19)18-9-11(2)7-12(3)10-18/h5-6,8,11-12H,4,7,9-10,17H2,1-3H3/t11-,12-/m1/s1
InChIKeyPWOTTYOQPOKWQW-VXGBXAGGSA-N
XLogP2.79
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 ≤ 52.79
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-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16786462
(3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone
CID 28689916
(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689913
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411281
(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 113228287
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61094073
(3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61094264
(3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 61091912
(3-amino-4-ethoxyphenyl)-cyclopropylmethanone
CID 82152472
(3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 60660628
(4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110762195

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone (CID 28689911) is (3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone is CCOc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1N.
What is the InChIKey of (3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone?
The InChIKey is PWOTTYOQPOKWQW-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-20-15-6-5-13(8-14(15)17)16(19)18-9-11(2)7-12(3)10-18/h5-6,8,11-12H,4,7,9-10,17H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone?
(3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.79, 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)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 28689911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).