ethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate

C22H34N2O4 — CID 45223738

IUPACethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(C(=O)C(c2ccccc2C)N(C)C)CC1
InChIInChI=1S/C22H34N2O4/c1-6-28-21(26)22(13-16-27-5)11-14-24(15-12-22)20(25)19(23(3)4)18-10-8-7-9-17(18)2/h7-10,19H,6,11-16H2,1-5H3
InChIKeyJSTNZUQBKVOMBO-UHFFFAOYSA-N
MW390.52 g/mol
LogP2.81
Rot. Bonds8

About ethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate

ethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate (PubChem CID 45223738) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is ethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate
PubChem CID45223738
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Nameethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(C(=O)C(c2ccccc2C)N(C)C)CC1
InChIInChI=1S/C22H34N2O4/c1-6-28-21(26)22(13-16-27-5)11-14-24(15-12-22)20(25)19(23(3)4)18-10-8-7-9-17(18)2/h7-10,19H,6,11-16H2,1-5H3
InChIKeyJSTNZUQBKVOMBO-UHFFFAOYSA-N
XLogP2.81
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazine-1-carboxylate
CID 97124771
ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate
CID 42567082
2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 72931057
2-(dimethylamino)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 72865250
4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 97202211
ethyl 1-[2-(2-chlorophenyl)sulfanylpropanoyl]-4-(methoxymethyl)piperidine-4-carboxylate
CID 119050660
ethyl 4-(2-methoxyethyl)piperidine-4-carboxylate
CID 56753969
ethyl 1-(2-methoxyethyl)-4-methylidenecyclohexane-1-carboxylate
CID 58230019
ethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate
CID 25461112
2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone
CID 56758184
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 97200726
ethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate
CID 42518725

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate (CID 45223738) is ethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate is CCOC(=O)C1(CCOC)CCN(C(=O)C(c2ccccc2C)N(C)C)CC1.
What is the InChIKey of ethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate?
The InChIKey is JSTNZUQBKVOMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-6-28-21(26)22(13-16-27-5)11-14-24(15-12-22)20(25)19(23(3)4)18-10-8-7-9-17(18)2/h7-10,19H,6,11-16H2,1-5H3.
What are the key properties of ethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate?
ethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate has a molecular weight of 390.52 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate is sourced from PubChem (CID 45223738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).