[1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C22H33N5O3 — CID 89487790

IUPAC[1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccc(N4CCCC4=O)cn3)CC2)CC1
InChIInChI=1S/C22H33N5O3/c1-17(2)24-12-14-26(15-13-24)22(29)30-19-7-10-25(11-8-19)20-6-5-18(16-23-20)27-9-3-4-21(27)28/h5-6,16-17,19H,3-4,7-15H2,1-2H3
InChIKeyWOJQZPNHUXTCJS-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.34
Rot. Bonds4

About [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487790) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487790
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name[1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccc(N4CCCC4=O)cn3)CC2)CC1
InChIInChI=1S/C22H33N5O3/c1-17(2)24-12-14-26(15-13-24)22(29)30-19-7-10-25(11-8-19)20-6-5-18(16-23-20)27-9-3-4-21(27)28/h5-6,16-17,19H,3-4,7-15H2,1-2H3
InChIKeyWOJQZPNHUXTCJS-UHFFFAOYSA-N
XLogP2.34
TPSA69.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-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 [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487790) is [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC2CCN(c3ccc(N4CCCC4=O)cn3)CC2)CC1.
What is the InChIKey of [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is WOJQZPNHUXTCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-17(2)24-12-14-26(15-13-24)22(29)30-19-7-10-25(11-8-19)20-6-5-18(16-23-20)27-9-3-4-21(27)28/h5-6,16-17,19H,3-4,7-15H2,1-2H3.
What are the key properties of [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 415.54 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).