tert-butyl 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate

C24H44N4O3 — CID 102562033

IUPACtert-butyl 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCC1CCCCN1C(=O)CN1CCN(CCC2CCCN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C24H44N4O3/c1-20-8-5-6-12-28(20)22(29)19-26-16-14-25(15-17-26)13-10-21-9-7-11-27(18-21)23(30)31-24(2,3)4/h20-21H,5-19H2,1-4H3
InChIKeyJZMPUYMAOIIEAE-UHFFFAOYSA-N
MW436.64 g/mol
LogP3.04
Rot. Bonds5

About tert-butyl 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate

tert-butyl 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate (PubChem CID 102562033) has the molecular formula C24H44N4O3 and a molecular weight of 436.64 g/mol. Its IUPAC name is tert-butyl 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
PubChem CID102562033
Molecular FormulaC24H44N4O3
Molecular Weight436.64 g/mol
Exact Mass436.34
IUPAC Nametert-butyl 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCC1CCCCN1C(=O)CN1CCN(CCC2CCCN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C24H44N4O3/c1-20-8-5-6-12-28(20)22(29)19-26-16-14-25(15-17-26)13-10-21-9-7-11-27(18-21)23(30)31-24(2,3)4/h20-21H,5-19H2,1-4H3
InChIKeyJZMPUYMAOIIEAE-UHFFFAOYSA-N
XLogP3.04
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.64
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]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 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate (CID 102562033) is tert-butyl 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate is CC1CCCCN1C(=O)CN1CCN(CCC2CCCN(C(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate?
The InChIKey is JZMPUYMAOIIEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N4O3/c1-20-8-5-6-12-28(20)22(29)19-26-16-14-25(15-17-26)13-10-21-9-7-11-27(18-21)23(30)31-24(2,3)4/h20-21H,5-19H2,1-4H3.
What are the key properties of tert-butyl 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate?
tert-butyl 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 436.64 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 102562033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).