pyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate

C23H28N2O5 — CID 139815952

IUPACpyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
SMILESCOc1ccc(C2CN(C(=O)OCc3ccccn3)CCO2)cc1OC1CCCC1
InChIInChI=1S/C23H28N2O5/c1-27-20-10-9-17(14-21(20)30-19-7-2-3-8-19)22-15-25(12-13-28-22)23(26)29-16-18-6-4-5-11-24-18/h4-6,9-11,14,19,22H,2-3,7-8,12-13,15-16H2,1H3
InChIKeyGNPDEYGTWLIKJU-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.12
Rot. Bonds6

About pyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate

pyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate (PubChem CID 139815952) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
PubChem CID139815952
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Namepyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
SMILESCOc1ccc(C2CN(C(=O)OCc3ccccn3)CCO2)cc1OC1CCCC1
InChIInChI=1S/C23H28N2O5/c1-27-20-10-9-17(14-21(20)30-19-7-2-3-8-19)22-15-25(12-13-28-22)23(26)29-16-18-6-4-5-11-24-18/h4-6,9-11,14,19,22H,2-3,7-8,12-13,15-16H2,1H3
InChIKeyGNPDEYGTWLIKJU-UHFFFAOYSA-N
XLogP4.12
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

naphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
CID 139815956
cyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
CID 139815942
2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride
CID 139815958
(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 67015224
benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate
CID 157499451
tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 11726110
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 55822339
(3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone
CID 54358933
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3-methoxy-2-pyridinyl)methanone
CID 95199203
1-[2-benzyl-4-(3-cyclobutyloxy-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 66826219
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide
CID 19792809

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate (CID 139815952) is pyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate is COc1ccc(C2CN(C(=O)OCc3ccccn3)CCO2)cc1OC1CCCC1.
What is the InChIKey of pyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate?
The InChIKey is GNPDEYGTWLIKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-27-20-10-9-17(14-21(20)30-19-7-2-3-8-19)22-15-25(12-13-28-22)23(26)29-16-18-6-4-5-11-24-18/h4-6,9-11,14,19,22H,2-3,7-8,12-13,15-16H2,1H3.
What are the key properties of pyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate?
pyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate has a molecular weight of 412.49 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate is sourced from PubChem (CID 139815952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).