benzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate

C18H24N2O3 — CID 6481457

IUPACbenzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate
SMILESO=C(C1CCCN1C(=O)OCc1ccccc1)N1CCCCC1
InChIInChI=1S/C18H24N2O3/c21-17(19-11-5-2-6-12-19)16-10-7-13-20(16)18(22)23-14-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2
InChIKeyRQDZEMWKEQRMCW-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.80
Rot. Bonds3

About benzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate

benzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 6481457) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is benzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate
PubChem CID6481457
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namebenzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate
SMILESO=C(C1CCCN1C(=O)OCc1ccccc1)N1CCCCC1
InChIInChI=1S/C18H24N2O3/c21-17(19-11-5-2-6-12-19)16-10-7-13-20(16)18(22)23-14-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2
InChIKeyRQDZEMWKEQRMCW-UHFFFAOYSA-N
XLogP2.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl 2-(piperidine-1-carbonyl)pyrrolidine-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 benzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate (CID 6481457) is benzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate is O=C(C1CCCN1C(=O)OCc1ccccc1)N1CCCCC1.
What is the InChIKey of benzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is RQDZEMWKEQRMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(19-11-5-2-6-12-19)16-10-7-13-20(16)18(22)23-14-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2.
What are the key properties of benzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate?
benzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 6481457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).