ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide

C21H42N4O — CID 166466919

IUPACethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide
SMILESCC.CCCC(=O)NCC1CC12CCN(CCN1CCN(C)CC1)CC2
InChIInChI=1S/C19H36N4O.C2H6/c1-3-4-18(24)20-16-17-15-19(17)5-7-22(8-6-19)13-14-23-11-9-21(2)10-12-23;1-2/h17H,3-16H2,1-2H3,(H,20,24);1-2H3
InChIKeySOCLZBPLZDYXJS-UHFFFAOYSA-N
MW366.59 g/mol
LogP2.28
Rot. Bonds7

About ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide

ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide (PubChem CID 166466919) has the molecular formula C21H42N4O and a molecular weight of 366.59 g/mol. Its IUPAC name is ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide.

Molecular Properties

Compound Nameethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide
PubChem CID166466919
Molecular FormulaC21H42N4O
Molecular Weight366.59 g/mol
Exact Mass366.34
IUPAC Nameethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide
SMILESCC.CCCC(=O)NCC1CC12CCN(CCN1CCN(C)CC1)CC2
InChIInChI=1S/C19H36N4O.C2H6/c1-3-4-18(24)20-16-17-15-19(17)5-7-22(8-6-19)13-14-23-11-9-21(2)10-12-23;1-2/h17H,3-16H2,1-2H3,(H,20,24);1-2H3
InChIKeySOCLZBPLZDYXJS-UHFFFAOYSA-N
XLogP2.28
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide with MolForge

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Related Compounds

molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide
CID 154671501
3-(4-methylpiperazin-1-yl)-N-propylpropanamide
CID 109011333
ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide
CID 176967624
N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine
CID 130138088
N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide
CID 170231211
N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
CID 155582806
4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one
CID 84666482
3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid
CID 84667807
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
N-(4-methylpiperazin-1-yl)butanamide
CID 4129194
N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593

Frequently Asked Questions

What is the IUPAC name of ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide?
The IUPAC name of ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide (CID 166466919) is ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide.
What is the SMILES notation for ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide?
The canonical SMILES for ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide is CC.CCCC(=O)NCC1CC12CCN(CCN1CCN(C)CC1)CC2.
What is the InChIKey of ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide?
The InChIKey is SOCLZBPLZDYXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O.C2H6/c1-3-4-18(24)20-16-17-15-19(17)5-7-22(8-6-19)13-14-23-11-9-21(2)10-12-23;1-2/h17H,3-16H2,1-2H3,(H,20,24);1-2H3.
What are the key properties of ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide?
ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide has a molecular weight of 366.59 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide is sourced from PubChem (CID 166466919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).