prop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate

C17H27N3O4 — CID 108564929

IUPACprop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate
SMILESC=CCOC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C17H27N3O4/c1-4-9-24-17(23)18-14-5-7-19(8-6-14)16(22)13-10-15(21)20(11-13)12(2)3/h4,12-14H,1,5-11H2,2-3H3,(H,18,23)
InChIKeyYPUSSAHIHDLRDB-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.15
Rot. Bonds5

About prop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate

prop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate (PubChem CID 108564929) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is prop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate
PubChem CID108564929
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Nameprop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate
SMILESC=CCOC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C17H27N3O4/c1-4-9-24-17(23)18-14-5-7-19(8-6-14)16(22)13-10-15(21)20(11-13)12(2)3/h4,12-14H,1,5-11H2,2-3H3,(H,18,23)
InChIKeyYPUSSAHIHDLRDB-UHFFFAOYSA-N
XLogP1.15
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of prop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate (CID 108564929) is prop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate is C=CCOC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1.
What is the InChIKey of prop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is YPUSSAHIHDLRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-4-9-24-17(23)18-14-5-7-19(8-6-14)16(22)13-10-15(21)20(11-13)12(2)3/h4,12-14H,1,5-11H2,2-3H3,(H,18,23).
What are the key properties of prop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate?
prop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 337.42 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 108564929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).