tert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate

C19H32N2O5 — CID 22611793

IUPACtert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C19H32N2O5/c1-19(2,3)26-18(24)20-10-7-14(8-11-20)5-6-16(22)21-12-9-15(13-21)17(23)25-4/h14-15H,5-13H2,1-4H3
InChIKeyQMNUFVZRZAILCD-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.44
Rot. Bonds4

About tert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate

tert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate (PubChem CID 22611793) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is tert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate
PubChem CID22611793
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Nametert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C19H32N2O5/c1-19(2,3)26-18(24)20-10-7-14(8-11-20)5-6-16(22)21-12-9-15(13-21)17(23)25-4/h14-15H,5-13H2,1-4H3
InChIKeyQMNUFVZRZAILCD-UHFFFAOYSA-N
XLogP2.44
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]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-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate (CID 22611793) is tert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate is COC(=O)C1CCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate?
The InChIKey is QMNUFVZRZAILCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-19(2,3)26-18(24)20-10-7-14(8-11-20)5-6-16(22)21-12-9-15(13-21)17(23)25-4/h14-15H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate?
tert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate has a molecular weight of 368.47 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 22611793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).