ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate

C22H27N3O3 — CID 109161686

IUPACethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc(C(=O)N3CCCCC3CC)cn2)cc1
InChIInChI=1S/C22H27N3O3/c1-3-19-7-5-6-14-25(19)21(26)17-10-13-20(23-15-17)24-18-11-8-16(9-12-18)22(27)28-4-2/h8-13,15,19H,3-7,14H2,1-2H3,(H,23,24)
InChIKeyHOSMHQPBZCPLHB-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.41
Rot. Bonds6

About ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate

ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate (PubChem CID 109161686) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate
PubChem CID109161686
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Nameethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc(C(=O)N3CCCCC3CC)cn2)cc1
InChIInChI=1S/C22H27N3O3/c1-3-19-7-5-6-14-25(19)21(26)17-10-13-20(23-15-17)24-18-11-8-16(9-12-18)22(27)28-4-2/h8-13,15,19H,3-7,14H2,1-2H3,(H,23,24)
InChIKeyHOSMHQPBZCPLHB-UHFFFAOYSA-N
XLogP4.41
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
CID 104691838
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114
(2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone
CID 109161690
[6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109151990
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
CID 108500088
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112926026
(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 109264131
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109160325
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[6-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 83061594

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate (CID 109161686) is ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate is CCOC(=O)c1ccc(Nc2ccc(C(=O)N3CCCCC3CC)cn2)cc1.
What is the InChIKey of ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate?
The InChIKey is HOSMHQPBZCPLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-19-7-5-6-14-25(19)21(26)17-10-13-20(23-15-17)24-18-11-8-16(9-12-18)22(27)28-4-2/h8-13,15,19H,3-7,14H2,1-2H3,(H,23,24).
What are the key properties of ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate?
ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate has a molecular weight of 381.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109161686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).