N-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide

C20H38N4O2 — CID 154670851

IUPACN-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide
SMILESCCC(C)N1CCN(CCN2CCC3(CC2)CC(CNC(C)=O)O3)CC1
InChIInChI=1S/C20H38N4O2/c1-4-17(2)24-13-11-23(12-14-24)10-9-22-7-5-20(6-8-22)15-19(26-20)16-21-18(3)25/h17,19H,4-16H2,1-3H3,(H,21,25)
InChIKeyNDLUZKXTUMYFML-UHFFFAOYSA-N
MW366.55 g/mol
LogP1.16
Rot. Bonds7

About N-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide

N-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide (PubChem CID 154670851) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide
PubChem CID154670851
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC NameN-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide
SMILESCCC(C)N1CCN(CCN2CCC3(CC2)CC(CNC(C)=O)O3)CC1
InChIInChI=1S/C20H38N4O2/c1-4-17(2)24-13-11-23(12-14-24)10-9-22-7-5-20(6-8-22)15-19(26-20)16-21-18(3)25/h17,19H,4-16H2,1-3H3,(H,21,25)
InChIKeyNDLUZKXTUMYFML-UHFFFAOYSA-N
XLogP1.16
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[7-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylbutanamide
CID 166466698
N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide
CID 154670605
3-(4-butan-2-ylpiperazin-1-yl)propanamide
CID 62772700
N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide
CID 170231211
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-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide
CID 156820113
methyl 4-(4-butan-2-ylpiperazin-1-yl)-2-(ethylamino)butanoate
CID 63054877
2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide
CID 164715698
3-(4-butan-2-ylpiperazin-1-yl)-1-(3-butyl-2-oxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 154670296
4-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylbutanoic acid
CID 65248291
4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810
1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 65208031

Frequently Asked Questions

What is the IUPAC name of N-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide?
The IUPAC name of N-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide (CID 154670851) is N-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide is CCC(C)N1CCN(CCN2CCC3(CC2)CC(CNC(C)=O)O3)CC1.
What is the InChIKey of N-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide?
The InChIKey is NDLUZKXTUMYFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-4-17(2)24-13-11-23(12-14-24)10-9-22-7-5-20(6-8-22)15-19(26-20)16-21-18(3)25/h17,19H,4-16H2,1-3H3,(H,21,25).
What are the key properties of N-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide?
N-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide has a molecular weight of 366.55 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide is sourced from PubChem (CID 154670851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).