2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane

C22H37N5 — CID 171576647

IUPAC2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane
SMILESCc1ccc(N2CCN(CN3CCC4(CC3)CN(C(C)(C)C)C4)CC2)nc1
InChIInChI=1S/C22H37N5/c1-19-5-6-20(23-15-19)26-13-11-25(12-14-26)18-24-9-7-22(8-10-24)16-27(17-22)21(2,3)4/h5-6,15H,7-14,16-18H2,1-4H3
InChIKeyCMUCFEZGPQBBHK-UHFFFAOYSA-N
MW371.57 g/mol
LogP2.67
Rot. Bonds3

About 2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane

2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 171576647) has the molecular formula C22H37N5 and a molecular weight of 371.57 g/mol. Its IUPAC name is 2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID171576647
Molecular FormulaC22H37N5
Molecular Weight371.57 g/mol
Exact Mass371.30
IUPAC Name2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane
SMILESCc1ccc(N2CCN(CN3CCC4(CC3)CN(C(C)(C)C)C4)CC2)nc1
InChIInChI=1S/C22H37N5/c1-19-5-6-20(23-15-19)26-13-11-25(12-14-26)18-24-9-7-22(8-10-24)16-27(17-22)21(2,3)4/h5-6,15H,7-14,16-18H2,1-4H3
InChIKeyCMUCFEZGPQBBHK-UHFFFAOYSA-N
XLogP2.67
TPSA25.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane (CID 171576647) is 2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane is Cc1ccc(N2CCN(CN3CCC4(CC3)CN(C(C)(C)C)C4)CC2)nc1.
What is the InChIKey of 2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is CMUCFEZGPQBBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5/c1-19-5-6-20(23-15-19)26-13-11-25(12-14-26)18-24-9-7-22(8-10-24)16-27(17-22)21(2,3)4/h5-6,15H,7-14,16-18H2,1-4H3.
What are the key properties of 2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane?
2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 371.57 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 171576647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).