N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide

C21H38N4O3 — CID 154670605

IUPACN-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide
SMILESCCN1CCN(CCC(=O)N2CCC3(CC2)CC(CNC(=O)C(C)C)O3)CC1
InChIInChI=1S/C21H38N4O3/c1-4-23-11-13-24(14-12-23)8-5-19(26)25-9-6-21(7-10-25)15-18(28-21)16-22-20(27)17(2)3/h17-18H,4-16H2,1-3H3,(H,22,27)
InChIKeyZMNXBLHLEYIOCZ-UHFFFAOYSA-N
MW394.56 g/mol
LogP0.94
Rot. Bonds7

About N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide

N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide (PubChem CID 154670605) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide
PubChem CID154670605
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC NameN-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide
SMILESCCN1CCN(CCC(=O)N2CCC3(CC2)CC(CNC(=O)C(C)C)O3)CC1
InChIInChI=1S/C21H38N4O3/c1-4-23-11-13-24(14-12-23)8-5-19(26)25-9-6-21(7-10-25)15-18(28-21)16-22-20(27)17(2)3/h17-18H,4-16H2,1-3H3,(H,22,27)
InChIKeyZMNXBLHLEYIOCZ-UHFFFAOYSA-N
XLogP0.94
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 50.94
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-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide
CID 154670851
2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide
CID 154670547
N-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen
CID 154670951
3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 174181009
N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide
CID 170231211
N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen
CID 154671378
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
2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide
CID 164715646
[2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea
CID 70714433
2-methyl-N-(oxiran-2-ylmethyl)propanamide
CID 102548474
3-(4-butan-2-ylpiperazin-1-yl)-1-(3-butyl-2-oxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 154670296

Frequently Asked Questions

What is the IUPAC name of N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide (CID 154670605) is N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide is CCN1CCN(CCC(=O)N2CCC3(CC2)CC(CNC(=O)C(C)C)O3)CC1.
What is the InChIKey of N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide?
The InChIKey is ZMNXBLHLEYIOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O3/c1-4-23-11-13-24(14-12-23)8-5-19(26)25-9-6-21(7-10-25)15-18(28-21)16-22-20(27)17(2)3/h17-18H,4-16H2,1-3H3,(H,22,27).
What are the key properties of N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide?
N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide has a molecular weight of 394.56 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 154670605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).