methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate

C18H24N2O5 — CID 91815364

IUPACmethyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ccc(OC2CCOCC2)nc1
InChIInChI=1S/C18H24N2O5/c1-23-18(22)15-4-2-3-9-20(15)17(21)13-5-6-16(19-12-13)25-14-7-10-24-11-8-14/h5-6,12,14-15H,2-4,7-11H2,1H3
InChIKeyDNWMRONFBHWMFP-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.81
Rot. Bonds4

About methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate

methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate (PubChem CID 91815364) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate
PubChem CID91815364
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Namemethyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ccc(OC2CCOCC2)nc1
InChIInChI=1S/C18H24N2O5/c1-23-18(22)15-4-2-3-9-20(15)17(21)13-5-6-16(19-12-13)25-14-7-10-24-11-8-14/h5-6,12,14-15H,2-4,7-11H2,1H3
InChIKeyDNWMRONFBHWMFP-UHFFFAOYSA-N
XLogP1.81
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate
CID 79833179
(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate
CID 115670220
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 104626640
methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate
CID 24790521
methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
CID 113256468
methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate
CID 25465302
methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate
CID 115280090
methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate
CID 61295467

Frequently Asked Questions

What is the IUPAC name of methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate (CID 91815364) is methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1ccc(OC2CCOCC2)nc1.
What is the InChIKey of methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate?
The InChIKey is DNWMRONFBHWMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-23-18(22)15-4-2-3-9-20(15)17(21)13-5-6-16(19-12-13)25-14-7-10-24-11-8-14/h5-6,12,14-15H,2-4,7-11H2,1H3.
What are the key properties of methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate?
methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 91815364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).