ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate

C17H23N3O3 — CID 84571140

IUPACethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cccc(NC3CC3)n2)C1
InChIInChI=1S/C17H23N3O3/c1-2-23-17(22)12-5-4-10-20(11-12)16(21)14-6-3-7-15(19-14)18-13-8-9-13/h3,6-7,12-13H,2,4-5,8-11H2,1H3,(H,18,19)
InChIKeyXPFYTGJTAKMVHI-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.07
Rot. Bonds5

About ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate

ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate (PubChem CID 84571140) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate
PubChem CID84571140
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nameethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cccc(NC3CC3)n2)C1
InChIInChI=1S/C17H23N3O3/c1-2-23-17(22)12-5-4-10-20(11-12)16(21)14-6-3-7-15(19-14)18-13-8-9-13/h3,6-7,12-13H,2,4-5,8-11H2,1H3,(H,18,19)
InChIKeyXPFYTGJTAKMVHI-UHFFFAOYSA-N
XLogP2.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate 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 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232
[6-(cyclopropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 84570721
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546
(3-ethoxypiperidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 62233605
ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate
CID 60859036
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl (3S)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxylate
CID 81345352
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate (CID 84571140) is ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cccc(NC3CC3)n2)C1.
What is the InChIKey of ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate?
The InChIKey is XPFYTGJTAKMVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-2-23-17(22)12-5-4-10-20(11-12)16(21)14-6-3-7-15(19-14)18-13-8-9-13/h3,6-7,12-13H,2,4-5,8-11H2,1H3,(H,18,19).
What are the key properties of ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate?
ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 84571140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).