(6-methoxy-3-pyridinyl) piperidine-1-carboxylate

C12H16N2O3 — CID 176955867

IUPAC(6-methoxy-3-pyridinyl) piperidine-1-carboxylate
SMILESCOc1ccc(OC(=O)N2CCCCC2)cn1
InChIInChI=1S/C12H16N2O3/c1-16-11-6-5-10(9-13-11)17-12(15)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyLRAVOLKSKGHQQH-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.07
Rot. Bonds2

About (6-methoxy-3-pyridinyl) piperidine-1-carboxylate

(6-methoxy-3-pyridinyl) piperidine-1-carboxylate (PubChem CID 176955867) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl) piperidine-1-carboxylate
PubChem CID176955867
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(6-methoxy-3-pyridinyl) piperidine-1-carboxylate
SMILESCOc1ccc(OC(=O)N2CCCCC2)cn1
InChIInChI=1S/C12H16N2O3/c1-16-11-6-5-10(9-13-11)17-12(15)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyLRAVOLKSKGHQQH-UHFFFAOYSA-N
XLogP2.07
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-methoxy-3-pyridinyl) 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

(6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate
CID 175498808
pyridazin-4-yl piperidine-1-carboxylate
CID 175189691
1-(azepan-1-yl)-2-chloro-2-(6-methoxy-3-pyridinyl)ethanone
CID 114938447
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
[1-(azepan-1-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate
CID 55443839
(4-methoxyphenyl) 4-methyl-1,4-diazepane-1-carboxylate
CID 89421681
(6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate
CID 58270753
N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide
CID 123262554
tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate
CID 164888365
2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate
CID 90068547
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl) piperidine-1-carboxylate?
The IUPAC name of (6-methoxy-3-pyridinyl) piperidine-1-carboxylate (CID 176955867) is (6-methoxy-3-pyridinyl) piperidine-1-carboxylate.
What is the SMILES notation for (6-methoxy-3-pyridinyl) piperidine-1-carboxylate?
The canonical SMILES for (6-methoxy-3-pyridinyl) piperidine-1-carboxylate is COc1ccc(OC(=O)N2CCCCC2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl) piperidine-1-carboxylate?
The InChIKey is LRAVOLKSKGHQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-16-11-6-5-10(9-13-11)17-12(15)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of (6-methoxy-3-pyridinyl) piperidine-1-carboxylate?
(6-methoxy-3-pyridinyl) piperidine-1-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl) piperidine-1-carboxylate is sourced from PubChem (CID 176955867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).