tert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

C23H37N5O2 — CID 176911117

IUPACtert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCCN1CCN(c2cccc(C3NCC34CCN(C(=O)OC(C)(C)C)CC4)n2)CC1
InChIInChI=1S/C23H37N5O2/c1-5-26-13-15-27(16-14-26)19-8-6-7-18(25-19)20-23(17-24-20)9-11-28(12-10-23)21(29)30-22(2,3)4/h6-8,20,24H,5,9-17H2,1-4H3
InChIKeyZDJMKWFNSRCSKR-UHFFFAOYSA-N
MW415.58 g/mol
LogP2.89
Rot. Bonds3

About tert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

tert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 176911117) has the molecular formula C23H37N5O2 and a molecular weight of 415.58 g/mol. Its IUPAC name is tert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID176911117
Molecular FormulaC23H37N5O2
Molecular Weight415.58 g/mol
Exact Mass415.29
IUPAC Nametert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCCN1CCN(c2cccc(C3NCC34CCN(C(=O)OC(C)(C)C)CC4)n2)CC1
InChIInChI=1S/C23H37N5O2/c1-5-26-13-15-27(16-14-26)19-8-6-7-18(25-19)20-23(17-24-20)9-11-28(12-10-23)21(29)30-22(2,3)4/h6-8,20,24H,5,9-17H2,1-4H3
InChIKeyZDJMKWFNSRCSKR-UHFFFAOYSA-N
XLogP2.89
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230097
tert-butyl 4-(6-acetyl-2-pyridinyl)piperazine-1-carboxylate
CID 168933947
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
tert-butyl 4-(5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)piperazine-1-carboxylate
CID 146275994
tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane
CID 166113013
tert-butyl 9-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 172834135
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
tert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 155716658
tert-butyl 4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)piperazine-1-carboxylate
CID 11992996
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 176911117) is tert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is CCN1CCN(c2cccc(C3NCC34CCN(C(=O)OC(C)(C)C)CC4)n2)CC1.
What is the InChIKey of tert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is ZDJMKWFNSRCSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O2/c1-5-26-13-15-27(16-14-26)19-8-6-7-18(25-19)20-23(17-24-20)9-11-28(12-10-23)21(29)30-22(2,3)4/h6-8,20,24H,5,9-17H2,1-4H3.
What are the key properties of tert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
tert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 415.58 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 176911117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).