ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate

C20H31N3O3 — CID 155518790

IUPACethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CCC(c3ncccc3OC)CC2)CC1
InChIInChI=1S/C20H31N3O3/c1-3-26-20(24)23-13-6-16(7-14-23)15-22-11-8-17(9-12-22)19-18(25-2)5-4-10-21-19/h4-5,10,16-17H,3,6-9,11-15H2,1-2H3
InChIKeyFKQLYZIZEXQATB-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.14
Rot. Bonds5

About ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate

ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 155518790) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate
PubChem CID155518790
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nameethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CCC(c3ncccc3OC)CC2)CC1
InChIInChI=1S/C20H31N3O3/c1-3-26-20(24)23-13-6-16(7-14-23)15-22-11-8-17(9-12-22)19-18(25-2)5-4-10-21-19/h4-5,10,16-17H,3,6-9,11-15H2,1-2H3
InChIKeyFKQLYZIZEXQATB-UHFFFAOYSA-N
XLogP3.14
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-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

1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one
CID 176811840
ethyl 4-[(1-methylspiro[2,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 56952971
ethyl 4-[4-(4-methoxypyridazin-3-yl)piperidin-1-yl]azepane-1-carboxylate
CID 78318316
[4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 118108096
ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 72544272
ethyl (4R)-4-[4-(2-methoxy-3-pyridinyl)piperidin-1-yl]azepane-1-carboxylate
CID 78318452
ethyl 4-thieno[3,2-c]pyridin-4-ylpiperidine-1-carboxylate
CID 18399709
ethyl 4-[4-(3-methoxy-4-pyridinyl)piperidin-1-yl]azepane-1-carboxylate
CID 78319058
ethyl 4-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]azepane-1-carboxylate
CID 78318147
tert-butyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate
CID 46206314
ethyl 4-(4-pyrimidin-2-ylpiperidin-1-yl)azepane-1-carboxylate
CID 78318381
ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050440

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate (CID 155518790) is ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(CN2CCC(c3ncccc3OC)CC2)CC1.
What is the InChIKey of ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate?
The InChIKey is FKQLYZIZEXQATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-3-26-20(24)23-13-6-16(7-14-23)15-22-11-8-17(9-12-22)19-18(25-2)5-4-10-21-19/h4-5,10,16-17H,3,6-9,11-15H2,1-2H3.
What are the key properties of ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate?
ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 361.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 155518790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).