4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine

C18H28N2O4 — CID 167762268

IUPAC4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine
SMILESCOc1ccnc(CN2CCOCC2C2CCCC2OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-21-16-6-4-5-13(16)15-12-24-10-9-20(15)11-14-18(23-3)17(22-2)7-8-19-14/h7-8,13,15-16H,4-6,9-12H2,1-3H3
InChIKeyQJHWGZGWSBTDOY-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.11
Rot. Bonds6

About 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine

4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine (PubChem CID 167762268) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine.

Molecular Properties

Compound Name4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine
PubChem CID167762268
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine
SMILESCOc1ccnc(CN2CCOCC2C2CCCC2OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-21-16-6-4-5-13(16)15-12-24-10-9-20(15)11-14-18(23-3)17(22-2)7-8-19-14/h7-8,13,15-16H,4-6,9-12H2,1-3H3
InChIKeyQJHWGZGWSBTDOY-UHFFFAOYSA-N
XLogP2.11
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine?
The IUPAC name of 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine (CID 167762268) is 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine.
What is the SMILES notation for 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine?
The canonical SMILES for 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine is COc1ccnc(CN2CCOCC2C2CCCC2OC)c1OC.
What is the InChIKey of 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine?
The InChIKey is QJHWGZGWSBTDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-21-16-6-4-5-13(16)15-12-24-10-9-20(15)11-14-18(23-3)17(22-2)7-8-19-14/h7-8,13,15-16H,4-6,9-12H2,1-3H3.
What are the key properties of 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine?
4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine has a molecular weight of 336.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine is sourced from PubChem (CID 167762268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).