(1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate

C18H33N3O3 — CID 72625281

IUPAC(1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
SMILESCCN1CCC(COC(=O)N=C(N2CCOCC2)C(C)(C)C)CC1
InChIInChI=1S/C18H33N3O3/c1-5-20-8-6-15(7-9-20)14-24-17(22)19-16(18(2,3)4)21-10-12-23-13-11-21/h15H,5-14H2,1-4H3
InChIKeyBKXDIXXNUBOGEO-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.63
Rot. Bonds3

About (1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate

(1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate (PubChem CID 72625281) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
PubChem CID72625281
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name(1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
SMILESCCN1CCC(COC(=O)N=C(N2CCOCC2)C(C)(C)C)CC1
InChIInChI=1S/C18H33N3O3/c1-5-20-8-6-15(7-9-20)14-24-17(22)19-16(18(2,3)4)21-10-12-23-13-11-21/h15H,5-14H2,1-4H3
InChIKeyBKXDIXXNUBOGEO-UHFFFAOYSA-N
XLogP2.63
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148449
oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148450
2-methylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 59040980
oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154595
3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 22973017
ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 142228089
3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148456
(1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate
CID 142228112
cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate
CID 142228095
N,2,2-trimethyl-1-morpholin-4-ylpropan-1-imine
CID 58320130
4-[(1-ethylpiperidin-4-yl)methyl]morpholine;propane
CID 176563536
2-morpholin-4-ylethyl 1-ethylpiperidine-4-carboxylate
CID 118534909

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
The IUPAC name of (1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate (CID 72625281) is (1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate.
What is the SMILES notation for (1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
The canonical SMILES for (1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate is CCN1CCC(COC(=O)N=C(N2CCOCC2)C(C)(C)C)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
The InChIKey is BKXDIXXNUBOGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-5-20-8-6-15(7-9-20)14-24-17(22)19-16(18(2,3)4)21-10-12-23-13-11-21/h15H,5-14H2,1-4H3.
What are the key properties of (1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
(1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate has a molecular weight of 339.48 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate is sourced from PubChem (CID 72625281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).