(4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate

C14H25N3O2 — CID 91217548

IUPAC(4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate
SMILESO=C(ON1CCN(C2CCCC2)CC1)N1CCCC1
InChIInChI=1S/C14H25N3O2/c18-14(16-7-3-4-8-16)19-17-11-9-15(10-12-17)13-5-1-2-6-13/h13H,1-12H2
InChIKeyRQSPTWCNXAVFJJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.69
Rot. Bonds2

About (4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate

(4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate (PubChem CID 91217548) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate
PubChem CID91217548
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate
SMILESO=C(ON1CCN(C2CCCC2)CC1)N1CCCC1
InChIInChI=1S/C14H25N3O2/c18-14(16-7-3-4-8-16)19-17-11-9-15(10-12-17)13-5-1-2-6-13/h13H,1-12H2
InChIKeyRQSPTWCNXAVFJJ-UHFFFAOYSA-N
XLogP1.69
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclopentylpiperazin-1-yl) 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 (4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate?
The IUPAC name of (4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate (CID 91217548) is (4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate is O=C(ON1CCN(C2CCCC2)CC1)N1CCCC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate?
The InChIKey is RQSPTWCNXAVFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c18-14(16-7-3-4-8-16)19-17-11-9-15(10-12-17)13-5-1-2-6-13/h13H,1-12H2.
What are the key properties of (4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate?
(4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate is sourced from PubChem (CID 91217548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).