(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

C16H24N2O2 — CID 115304464

IUPAC(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCC(C)(NC)CC1
InChIInChI=1S/C16H24N2O2/c1-4-20-14-8-6-5-7-13(14)15(19)18-11-9-16(2,17-3)10-12-18/h5-8,17H,4,9-12H2,1-3H3
InChIKeyAAZNACFMHPPBRH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.30
Rot. Bonds4

About (2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 115304464) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID115304464
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCC(C)(NC)CC1
InChIInChI=1S/C16H24N2O2/c1-4-20-14-8-6-5-7-13(14)15(19)18-11-9-16(2,17-3)10-12-18/h5-8,17H,4,9-12H2,1-3H3
InChIKeyAAZNACFMHPPBRH-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
[4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 115304562
8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017588
[4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 115304551
3-amino-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119285201
[4-(2-bromoethyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 80661320
(2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60817895
1-[2-(2-ethoxyphenoxy)ethyl]-N,4-dimethylpiperidin-4-amine
CID 115305364
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905
(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 1070537
2-(cyclopropylmethylamino)-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 119715860

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (CID 115304464) is (2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCC(C)(NC)CC1.
What is the InChIKey of (2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is AAZNACFMHPPBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-20-14-8-6-5-7-13(14)15(19)18-11-9-16(2,17-3)10-12-18/h5-8,17H,4,9-12H2,1-3H3.
What are the key properties of (2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 115304464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).