2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone

C20H33N5O — CID 56906160

IUPAC2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCc1nccn1CCC1CCN(C(=O)C2CC3(CCNCC3)CN2)CC1
InChIInChI=1S/C20H33N5O/c1-16-22-9-13-24(16)10-2-17-3-11-25(12-4-17)19(26)18-14-20(15-23-18)5-7-21-8-6-20/h9,13,17-18,21,23H,2-8,10-12,14-15H2,1H3
InChIKeyNZNLIVIRZDTNQK-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.55
Rot. Bonds4

About 2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone

2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 56906160) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
PubChem CID56906160
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCc1nccn1CCC1CCN(C(=O)C2CC3(CCNCC3)CN2)CC1
InChIInChI=1S/C20H33N5O/c1-16-22-9-13-24(16)10-2-17-3-11-25(12-4-17)19(26)18-14-20(15-23-18)5-7-21-8-6-20/h9,13,17-18,21,23H,2-8,10-12,14-15H2,1H3
InChIKeyNZNLIVIRZDTNQK-UHFFFAOYSA-N
XLogP1.55
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone 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 2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of 2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone (CID 56906160) is 2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for 2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for 2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone is Cc1nccn1CCC1CCN(C(=O)C2CC3(CCNCC3)CN2)CC1.
What is the InChIKey of 2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The InChIKey is NZNLIVIRZDTNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-16-22-9-13-24(16)10-2-17-3-11-25(12-4-17)19(26)18-14-20(15-23-18)5-7-21-8-6-20/h9,13,17-18,21,23H,2-8,10-12,14-15H2,1H3.
What are the key properties of 2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 359.52 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[4.5]decan-3-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56906160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).