2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane

C16H32N4 — CID 171359803

IUPAC2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane
SMILESC[C@@H](CN1CCN(C)CC1)N1CCC2(CCNCC2)C1
InChIInChI=1S/C16H32N4/c1-15(13-19-11-9-18(2)10-12-19)20-8-5-16(14-20)3-6-17-7-4-16/h15,17H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyMTSUTEAIAVYSDE-HNNXBMFYSA-N
MW280.46 g/mol
LogP0.70
Rot. Bonds3

About 2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane

2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane (PubChem CID 171359803) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane
PubChem CID171359803
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane
SMILESC[C@@H](CN1CCN(C)CC1)N1CCC2(CCNCC2)C1
InChIInChI=1S/C16H32N4/c1-15(13-19-11-9-18(2)10-12-19)20-8-5-16(14-20)3-6-17-7-4-16/h15,17H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyMTSUTEAIAVYSDE-HNNXBMFYSA-N
XLogP0.70
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane 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

2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane
CID 171359115
(3S)-1-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]-3-methylpiperazine
CID 169685055
1-[[1-(2,2-Dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]-3-methylpiperazine
CID 169685056
4,4-Dimethyl-1-piperidin-3-ylpiperidine
CID 62937079
1-Piperidin-4-yl-2-pyrrolidin-3-ylpiperazine
CID 68506465
1-[(1,4-Dimethylpiperidin-4-yl)methyl]-3-methylpiperazine
CID 107165309
1,2,6-Trimethyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine
CID 114547122
1-(3,3-Dimethylbutyl)-4-(piperidin-4-ylmethyl)piperazine
CID 120374720
1-Tert-butyl-4-[2-[3-(2-methyl-2-piperazin-1-ylpropyl)pyrrolidin-1-yl]ethyl]piperazine
CID 126732640
8-(1-Methylpiperidin-4-yl)-2,8-diazaspiro[4.5]decane
CID 129088744
N-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine
CID 129168724
2-Methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,8-diazaspiro[4.5]decane
CID 129270607

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane (CID 171359803) is 2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane is C[C@@H](CN1CCN(C)CC1)N1CCC2(CCNCC2)C1.
What is the InChIKey of 2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane?
The InChIKey is MTSUTEAIAVYSDE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H32N4/c1-15(13-19-11-9-18(2)10-12-19)20-8-5-16(14-20)3-6-17-7-4-16/h15,17H,3-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane?
2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane has a molecular weight of 280.46 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 171359803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).