3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone

C16H29N3O — CID 63103852

IUPAC3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone
SMILESCC1CNC(C(=O)N2CCC3(CCCCC3)CC2)CN1
InChIInChI=1S/C16H29N3O/c1-13-11-18-14(12-17-13)15(20)19-9-7-16(8-10-19)5-3-2-4-6-16/h13-14,17-18H,2-12H2,1H3
InChIKeyKEDFMWRCPYLTCV-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.51
Rot. Bonds1

About 3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone

3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone (PubChem CID 63103852) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone
PubChem CID63103852
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone
SMILESCC1CNC(C(=O)N2CCC3(CCCCC3)CC2)CN1
InChIInChI=1S/C16H29N3O/c1-13-11-18-14(12-17-13)15(20)19-9-7-16(8-10-19)5-3-2-4-6-16/h13-14,17-18H,2-12H2,1H3
InChIKeyKEDFMWRCPYLTCV-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-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

Related Compounds

(5-methylpiperazin-2-yl)-piperidin-1-ylmethanone
CID 63103119
(3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone
CID 79180783
[4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 55177070
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 55178611
2-azaspiro[4.5]decan-2-yl-(4-hydroxypyrrolidin-2-yl)methanone
CID 119805335
3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone
CID 114196496
3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone
CID 114428966
(5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 55176687
[3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 63524790
(5-methylpiperidin-2-yl)-pyrrolidin-1-ylmethanone
CID 19909692
2-azaspiro[4.5]decan-2-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119805330
2-azaspiro[5.5]undecan-2-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 124703429

Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone?
The IUPAC name of 3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone (CID 63103852) is 3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone.
What is the SMILES notation for 3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone?
The canonical SMILES for 3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone is CC1CNC(C(=O)N2CCC3(CCCCC3)CC2)CN1.
What is the InChIKey of 3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone?
The InChIKey is KEDFMWRCPYLTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13-11-18-14(12-17-13)15(20)19-9-7-16(8-10-19)5-3-2-4-6-16/h13-14,17-18H,2-12H2,1H3.
What are the key properties of 3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone?
3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone has a molecular weight of 279.43 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone is sourced from PubChem (CID 63103852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).