2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone

C19H30N2O2 — CID 119698293

IUPAC2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
SMILESCOCCNCC(=O)N1CCC(CCc2ccc(C)cc2)CC1
InChIInChI=1S/C19H30N2O2/c1-16-3-5-17(6-4-16)7-8-18-9-12-21(13-10-18)19(22)15-20-11-14-23-2/h3-6,18,20H,7-15H2,1-2H3
InChIKeyMAKSVBVWRUNZMN-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.40
Rot. Bonds8

About 2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone

2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone (PubChem CID 119698293) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
PubChem CID119698293
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
SMILESCOCCNCC(=O)N1CCC(CCc2ccc(C)cc2)CC1
InChIInChI=1S/C19H30N2O2/c1-16-3-5-17(6-4-16)7-8-18-9-12-21(13-10-18)19(22)15-20-11-14-23-2/h3-6,18,20H,7-15H2,1-2H3
InChIKeyMAKSVBVWRUNZMN-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79280949
2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 119698261
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
2-bromo-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 107903147
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 112625104
1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119698291
2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892742
1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 55465062
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid
CID 122019443
N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide
CID 119692938

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone (CID 119698293) is 2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone is COCCNCC(=O)N1CCC(CCc2ccc(C)cc2)CC1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is MAKSVBVWRUNZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-16-3-5-17(6-4-16)7-8-18-9-12-21(13-10-18)19(22)15-20-11-14-23-2/h3-6,18,20H,7-15H2,1-2H3.
What are the key properties of 2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone?
2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 318.46 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 119698293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).