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

C23H33N5O3 — CID 89487796

IUPAC[1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
SMILESO=C(OC1CCN(c2ccc(N3CCCC3=O)cn2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C23H33N5O3/c29-22-5-2-10-28(22)19-6-7-21(24-17-19)26-11-8-20(9-12-26)31-23(30)27-15-13-25(14-16-27)18-3-1-4-18/h6-7,17-18,20H,1-5,8-16H2
InChIKeyKLKSDCOSACKLDO-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.48
Rot. Bonds4

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

[1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate (PubChem CID 89487796) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
PubChem CID89487796
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name[1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
SMILESO=C(OC1CCN(c2ccc(N3CCCC3=O)cn2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C23H33N5O3/c29-22-5-2-10-28(22)19-6-7-21(24-17-19)26-11-8-20(9-12-26)31-23(30)27-15-13-25(14-16-27)18-3-1-4-18/h6-7,17-18,20H,1-5,8-16H2
InChIKeyKLKSDCOSACKLDO-UHFFFAOYSA-N
XLogP2.48
TPSA69.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(1-Pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
CID 89487613
(1-Imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
CID 89487702
[1-(5-Fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487906
[1-(6-Isocyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 122198058
[1-(4-Fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487403
(1-Pyridin-2-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate
CID 89487574
[1-(5-Methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487728
[1-[5-(2-Oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487790
[1-(5-Fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487858
[1-(3-Fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487945
[1-[3-(Trifluoromethyl)pyridin-2-yl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487966
Ethyl 4-[3,4-dioxo-2-(4-pyridin-2-ylpiperazin-1-yl)cyclobuten-1-yl]piperazine-1-carboxylate
CID 5307747

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The IUPAC name of [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate (CID 89487796) is [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate.
What is the SMILES notation for [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The canonical SMILES for [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate is O=C(OC1CCN(c2ccc(N3CCCC3=O)cn2)CC1)N1CCN(C2CCC2)CC1.
What is the InChIKey of [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The InChIKey is KLKSDCOSACKLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c29-22-5-2-10-28(22)19-6-7-21(24-17-19)26-11-8-20(9-12-26)31-23(30)27-15-13-25(14-16-27)18-3-1-4-18/h6-7,17-18,20H,1-5,8-16H2.
What are the key properties of [1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
[1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate has a molecular weight of 427.55 g/mol, XLogP of 2.48, 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-cyclobutylpiperazine-1-carboxylate is sourced from PubChem (CID 89487796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).