3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate

C15H27N3O3 — CID 71154646

IUPAC3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate
SMILESCCC(=NC(=O)OCCCN1CCCC1)N1CCOCC1
InChIInChI=1S/C15H27N3O3/c1-2-14(18-9-12-20-13-10-18)16-15(19)21-11-5-8-17-6-3-4-7-17/h2-13H2,1H3
InChIKeyJRPLRJPZKQWGBE-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.75
Rot. Bonds5

About 3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate

3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate (PubChem CID 71154646) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate.

Molecular Properties

Compound Name3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate
PubChem CID71154646
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate
SMILESCCC(=NC(=O)OCCCN1CCCC1)N1CCOCC1
InChIInChI=1S/C15H27N3O3/c1-2-14(18-9-12-20-13-10-18)16-15(19)21-11-5-8-17-6-3-4-7-17/h2-13H2,1H3
InChIKeyJRPLRJPZKQWGBE-UHFFFAOYSA-N
XLogP1.75
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.75
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
2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154669
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
oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154595
2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate
CID 158258538
2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate
CID 20754847
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
1-O-ethyl 4-O-(3-morpholin-4-ylpropyl) but-2-enedioate
CID 78155177
6-(1,4-oxazepan-4-yl)hexan-3-one
CID 106801426
N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
CID 111059740
3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate
CID 58135814

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate?
The IUPAC name of 3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate (CID 71154646) is 3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate.
What is the SMILES notation for 3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate?
The canonical SMILES for 3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate is CCC(=NC(=O)OCCCN1CCCC1)N1CCOCC1.
What is the InChIKey of 3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate?
The InChIKey is JRPLRJPZKQWGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-14(18-9-12-20-13-10-18)16-15(19)21-11-5-8-17-6-3-4-7-17/h2-13H2,1H3.
What are the key properties of 3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate?
3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate has a molecular weight of 297.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate is sourced from PubChem (CID 71154646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).