3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate

C18H33N3O3 — CID 71148456

IUPAC3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
SMILESCC(C)(C)C(=NC(=O)OCCCN1CCCCC1)N1CCOCC1
InChIInChI=1S/C18H33N3O3/c1-18(2,3)16(21-11-14-23-15-12-21)19-17(22)24-13-7-10-20-8-5-4-6-9-20/h4-15H2,1-3H3
InChIKeyDSNSNOFVBMDVFF-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.78
Rot. Bonds4

About 3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate

3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate (PubChem CID 71148456) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate.

Molecular Properties

Compound Name3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
PubChem CID71148456
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
SMILESCC(C)(C)C(=NC(=O)OCCCN1CCCCC1)N1CCOCC1
InChIInChI=1S/C18H33N3O3/c1-18(2,3)16(21-11-14-23-15-12-21)19-17(22)24-13-7-10-20-8-5-4-6-9-20/h4-15H2,1-3H3
InChIKeyDSNSNOFVBMDVFF-UHFFFAOYSA-N
XLogP2.78
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154646
2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate
CID 158258538
2-methylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 59040980
oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148449
(1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 72625281
oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148450
oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate
CID 11151722
2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate
CID 20754847
2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154669
3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
The IUPAC name of 3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate (CID 71148456) is 3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate.
What is the SMILES notation for 3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
The canonical SMILES for 3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate is CC(C)(C)C(=NC(=O)OCCCN1CCCCC1)N1CCOCC1.
What is the InChIKey of 3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
The InChIKey is DSNSNOFVBMDVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-18(2,3)16(21-11-14-23-15-12-21)19-17(22)24-13-7-10-20-8-5-4-6-9-20/h4-15H2,1-3H3.
What are the key properties of 3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate has a molecular weight of 339.48 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate is sourced from PubChem (CID 71148456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).