[4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate

C21H30N2O4 — CID 78831849

IUPAC[4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate
SMILESCC(C)CN1CCOC(COC(=O)c2ccc(N3CCCCC3=O)cc2)C1
InChIInChI=1S/C21H30N2O4/c1-16(2)13-22-11-12-26-19(14-22)15-27-21(25)17-6-8-18(9-7-17)23-10-4-3-5-20(23)24/h6-9,16,19H,3-5,10-15H2,1-2H3
InChIKeyDORQATTVZHARKU-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.72
Rot. Bonds6

About [4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate

[4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate (PubChem CID 78831849) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is [4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate.

Molecular Properties

Compound Name[4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate
PubChem CID78831849
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name[4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate
SMILESCC(C)CN1CCOC(COC(=O)c2ccc(N3CCCCC3=O)cc2)C1
InChIInChI=1S/C21H30N2O4/c1-16(2)13-22-11-12-26-19(14-22)15-27-21(25)17-6-8-18(9-7-17)23-10-4-3-5-20(23)24/h6-9,16,19H,3-5,10-15H2,1-2H3
InChIKeyDORQATTVZHARKU-UHFFFAOYSA-N
XLogP2.72
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate
CID 78830796
ethyl 4-(2-oxoazepan-1-yl)benzoate
CID 168817150
[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate
CID 78832861
[4-(2-methylpropyl)morpholin-2-yl]methyl 4,5-dichloro-1H-pyrrole-2-carboxylate
CID 78846665
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
(4-ethylmorpholin-2-yl)methyl 3-amino-4-bromobenzoate
CID 79182900
[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate
CID 78831240
1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one
CID 42943561
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate
CID 55441601
[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8581447
[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate
CID 55441480

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate?
The IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate (CID 78831849) is [4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate.
What is the SMILES notation for [4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate?
The canonical SMILES for [4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate is CC(C)CN1CCOC(COC(=O)c2ccc(N3CCCCC3=O)cc2)C1.
What is the InChIKey of [4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate?
The InChIKey is DORQATTVZHARKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-16(2)13-22-11-12-26-19(14-22)15-27-21(25)17-6-8-18(9-7-17)23-10-4-3-5-20(23)24/h6-9,16,19H,3-5,10-15H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate?
[4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate has a molecular weight of 374.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate is sourced from PubChem (CID 78831849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).