ethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate

C19H23N3O3 — CID 122142945

IUPACethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C19H23N3O3/c1-2-25-18(23)13-20-19(24)15-9-11-22(12-10-15)17-8-7-14-5-3-4-6-16(14)21-17/h3-8,15H,2,9-13H2,1H3,(H,20,24)
InChIKeyPOIWUENVPMHCCS-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.13
Rot. Bonds5

About ethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate

ethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate (PubChem CID 122142945) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate
PubChem CID122142945
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C19H23N3O3/c1-2-25-18(23)13-20-19(24)15-9-11-22(12-10-15)17-8-7-14-5-3-4-6-16(14)21-17/h3-8,15H,2,9-13H2,1H3,(H,20,24)
InChIKeyPOIWUENVPMHCCS-UHFFFAOYSA-N
XLogP2.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate 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

ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
N-(1-quinolin-2-ylpiperidin-4-yl)cyclohexanecarboxamide
CID 133276967
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate
CID 133394837
(Z)-but-2-enedioic acid;ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 126476747
ethyl 1-[6-(1-benzothiophen-2-yl)quinolin-2-yl]piperidine-4-carboxylate
CID 156558103
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
CID 141431671
5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 131927227
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580
ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate
CID 71845794
4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108764072
N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine
CID 115307554

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate (CID 122142945) is ethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate is CCOC(=O)CNC(=O)C1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of ethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate?
The InChIKey is POIWUENVPMHCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-25-18(23)13-20-19(24)15-9-11-22(12-10-15)17-8-7-14-5-3-4-6-16(14)21-17/h3-8,15H,2,9-13H2,1H3,(H,20,24).
What are the key properties of ethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate?
ethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate has a molecular weight of 341.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate is sourced from PubChem (CID 122142945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).