ethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate

C20H29N3O4S — CID 46377990

IUPACethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(SCCN3CCOCC3)nc2)C1
InChIInChI=1S/C20H29N3O4S/c1-2-27-20(25)17-4-3-7-23(15-17)19(24)16-5-6-18(21-14-16)28-13-10-22-8-11-26-12-9-22/h5-6,14,17H,2-4,7-13,15H2,1H3
InChIKeyKLTQNHNNFQTJQW-UHFFFAOYSA-N
MW407.54 g/mol
LogP1.92
Rot. Bonds7

About ethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate

ethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 46377990) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is ethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate
PubChem CID46377990
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC Nameethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(SCCN3CCOCC3)nc2)C1
InChIInChI=1S/C20H29N3O4S/c1-2-27-20(25)17-4-3-7-23(15-17)19(24)16-5-6-18(21-14-16)28-13-10-22-8-11-26-12-9-22/h5-6,14,17H,2-4,7-13,15H2,1H3
InChIKeyKLTQNHNNFQTJQW-UHFFFAOYSA-N
XLogP1.92
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-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 (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-3-carboxylate
CID 25163445
ethyl (3S)-1-(4-pyrrol-1-ylbenzoyl)piperidine-3-carboxylate
CID 51925940
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate
CID 110765068
ethyl 1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 43664914
ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103803360
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl (3R)-1-(4-acetyloxybenzoyl)piperidine-3-carboxylate
CID 670738

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate (CID 46377990) is ethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccc(SCCN3CCOCC3)nc2)C1.
What is the InChIKey of ethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is KLTQNHNNFQTJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-2-27-20(25)17-4-3-7-23(15-17)19(24)16-5-6-18(21-14-16)28-13-10-22-8-11-26-12-9-22/h5-6,14,17H,2-4,7-13,15H2,1H3.
What are the key properties of ethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate?
ethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 407.54 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 46377990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).