tert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate

C19H34N2O4 — CID 57207117

IUPACtert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCCC(O)C1CCN(CCC2CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C19H34N2O4/c1-5-16(22)15-9-13-20(17(15)23)10-6-14-7-11-21(12-8-14)18(24)25-19(2,3)4/h14-16,22H,5-13H2,1-4H3
InChIKeyGNZBZYDVSZNDSV-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.64
Rot. Bonds5

About tert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate (PubChem CID 57207117) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is tert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate
PubChem CID57207117
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Nametert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCCC(O)C1CCN(CCC2CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C19H34N2O4/c1-5-16(22)15-9-13-20(17(15)23)10-6-14-7-11-21(12-8-14)18(24)25-19(2,3)4/h14-16,22H,5-13H2,1-4H3
InChIKeyGNZBZYDVSZNDSV-UHFFFAOYSA-N
XLogP2.64
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate (CID 57207117) is tert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate is CCC(O)C1CCN(CCC2CCN(C(=O)OC(C)(C)C)CC2)C1=O.
What is the InChIKey of tert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate?
The InChIKey is GNZBZYDVSZNDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-5-16(22)15-9-13-20(17(15)23)10-6-14-7-11-21(12-8-14)18(24)25-19(2,3)4/h14-16,22H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 354.49 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[3-(1-hydroxypropyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 57207117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).