ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate

C19H27N3O4 — CID 108504238

IUPACethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(=O)N(CC)CCc2ccncc2)CC1
InChIInChI=1S/C19H27N3O4/c1-3-21(12-7-15-5-10-20-11-6-15)17(23)18(24)22-13-8-16(9-14-22)19(25)26-4-2/h5-6,10-11,16H,3-4,7-9,12-14H2,1-2H3
InChIKeyLCRLVZSUKYSGNN-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.27
Rot. Bonds6

About ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate

ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate (PubChem CID 108504238) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate
PubChem CID108504238
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nameethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(=O)N(CC)CCc2ccncc2)CC1
InChIInChI=1S/C19H27N3O4/c1-3-21(12-7-15-5-10-20-11-6-15)17(23)18(24)22-13-8-16(9-14-22)19(25)26-4-2/h5-6,10-11,16H,3-4,7-9,12-14H2,1-2H3
InChIKeyLCRLVZSUKYSGNN-UHFFFAOYSA-N
XLogP1.27
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
CID 108504024
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
N'-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108507261
ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
CID 42699660
ethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate
CID 115149189
ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 115535618
ethyl 1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 43623395
ethyl 1-[2-(4-butylanilino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108502335
N-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687138
2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
CID 108505672
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
3-pyridin-4-ylpropyl cyclopentanecarboxylate
CID 78842260

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate (CID 108504238) is ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(=O)N(CC)CCc2ccncc2)CC1.
What is the InChIKey of ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate?
The InChIKey is LCRLVZSUKYSGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-3-21(12-7-15-5-10-20-11-6-15)17(23)18(24)22-13-8-16(9-14-22)19(25)26-4-2/h5-6,10-11,16H,3-4,7-9,12-14H2,1-2H3.
What are the key properties of ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate?
ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 108504238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).