ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate

C19H29N3O3 — CID 109028829

IUPACethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCNc2cc(C)ccc2C)CC1
InChIInChI=1S/C19H29N3O3/c1-4-25-19(24)22-11-8-16(9-12-22)21-18(23)7-10-20-17-13-14(2)5-6-15(17)3/h5-6,13,16,20H,4,7-12H2,1-3H3,(H,21,23)
InChIKeyZEVKKKGAISOFSX-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.84
Rot. Bonds6

About ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate (PubChem CID 109028829) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate
PubChem CID109028829
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCNc2cc(C)ccc2C)CC1
InChIInChI=1S/C19H29N3O3/c1-4-25-19(24)22-11-8-16(9-12-22)21-18(23)7-10-20-17-13-14(2)5-6-15(17)3/h5-6,13,16,20H,4,7-12H2,1-3H3,(H,21,23)
InChIKeyZEVKKKGAISOFSX-UHFFFAOYSA-N
XLogP2.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028834
ethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate
CID 109028898
ethyl 4-[3-(4-tert-butylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028844
ethyl 4-[4-[(2,4-dimethylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39611649
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 3865225
ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate
CID 109028878
ethyl 4-[3-[4-(trifluoromethyl)anilino]propanoylamino]piperidine-1-carboxylate
CID 109028870
ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
CID 43761080
3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
CID 79385467
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[2-(2,5-dimethylanilino)-2-oxoacetyl]piperazine-1-carboxylate
CID 108531030

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate (CID 109028829) is ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCNc2cc(C)ccc2C)CC1.
What is the InChIKey of ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate?
The InChIKey is ZEVKKKGAISOFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-25-19(24)22-11-8-16(9-12-22)21-18(23)7-10-20-17-13-14(2)5-6-15(17)3/h5-6,13,16,20H,4,7-12H2,1-3H3,(H,21,23).
What are the key properties of ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 109028829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).