ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate

C18H26N2O3 — CID 54812742

IUPACethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNc2cc(C)ccc2C)CC1
InChIInChI=1S/C18H26N2O3/c1-4-23-18(22)15-7-9-20(10-8-15)17(21)12-19-16-11-13(2)5-6-14(16)3/h5-6,11,15,19H,4,7-10,12H2,1-3H3
InChIKeyJWRRTXDIZQIOMB-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.52
Rot. Bonds5

About ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate (PubChem CID 54812742) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate
PubChem CID54812742
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nameethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNc2cc(C)ccc2C)CC1
InChIInChI=1S/C18H26N2O3/c1-4-23-18(22)15-7-9-20(10-8-15)17(21)12-19-16-11-13(2)5-6-14(16)3/h5-6,11,15,19H,4,7-10,12H2,1-3H3
InChIKeyJWRRTXDIZQIOMB-UHFFFAOYSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-[4-methyl-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxylate
CID 55477689
ethyl 1-[2-(2,5-dimethylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 23990490
1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide
CID 78821595
ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate
CID 54830182
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate
CID 47010749
ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate
CID 3754378
ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate
CID 54822989
ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate
CID 54917942
1-[2-(2-bromo-4-methylanilino)acetyl]piperidine-4-carboxylic acid
CID 103231678
ethyl 1-[2-(3,4-dimethylphenyl)sulfanylacetyl]piperidine-4-carboxylate
CID 51072373
ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028829

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate (CID 54812742) is ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CNc2cc(C)ccc2C)CC1.
What is the InChIKey of ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate?
The InChIKey is JWRRTXDIZQIOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-23-18(22)15-7-9-20(10-8-15)17(21)12-19-16-11-13(2)5-6-14(16)3/h5-6,11,15,19H,4,7-10,12H2,1-3H3.
What are the key properties of ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 54812742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).