2-[4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane

C21H39N5 — CID 82565108

IUPAC2-[4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane
SMILESC1CCN(C2CCN(CC3CCNCC3N3CCC4(CCNC4)C3)C2)C1
InChIInChI=1S/C21H39N5/c1-2-10-25(9-1)19-4-11-24(15-19)14-18-3-7-22-13-20(18)26-12-6-21(17-26)5-8-23-16-21/h18-20,22-23H,1-17H2
InChIKeyFKZMFMCJNNXQCK-UHFFFAOYSA-N
MW361.58 g/mol
LogP0.82
Rot. Bonds4

About 2-[4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane

2-[4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane (PubChem CID 82565108) has the molecular formula C21H39N5 and a molecular weight of 361.58 g/mol. Its IUPAC name is 2-[4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane
PubChem CID82565108
Molecular FormulaC21H39N5
Molecular Weight361.58 g/mol
Exact Mass361.32
IUPAC Name2-[4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane
SMILESC1CCN(C2CCN(CC3CCNCC3N3CCC4(CCNC4)C3)C2)C1
InChIInChI=1S/C21H39N5/c1-2-10-25(9-1)19-4-11-24(15-19)14-18-3-7-22-13-20(18)26-12-6-21(17-26)5-8-23-16-21/h18-20,22-23H,1-17H2
InChIKeyFKZMFMCJNNXQCK-UHFFFAOYSA-N
XLogP0.82
TPSA33.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.58
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane (CID 82565108) is 2-[4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane is C1CCN(C2CCN(CC3CCNCC3N3CCC4(CCNC4)C3)C2)C1.
What is the InChIKey of 2-[4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is FKZMFMCJNNXQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N5/c1-2-10-25(9-1)19-4-11-24(15-19)14-18-3-7-22-13-20(18)26-12-6-21(17-26)5-8-23-16-21/h18-20,22-23H,1-17H2.
What are the key properties of 2-[4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane?
2-[4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 361.58 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 82565108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).