N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen

C22H42N4O2 — CID 154671378

IUPACN-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen
SMILESCCC(C)N1CCN(CCC(=O)N2CCC3(CC(NC(=O)C(C)C)C3)C2)CC1.[H][H]
InChIInChI=1S/C22H40N4O2.H2/c1-5-18(4)25-12-10-24(11-13-25)8-6-20(27)26-9-7-22(16-26)14-19(15-22)23-21(28)17(2)3;/h17-19H,5-16H2,1-4H3,(H,23,28);1H
InChIKeyZLINNFVVXRYAOX-UHFFFAOYSA-N
MW394.60 g/mol
LogP2.19
Rot. Bonds7

About N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen

N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen (PubChem CID 154671378) has the molecular formula C22H42N4O2 and a molecular weight of 394.60 g/mol. Its IUPAC name is N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen
PubChem CID154671378
Molecular FormulaC22H42N4O2
Molecular Weight394.60 g/mol
Exact Mass394.33
IUPAC NameN-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen
SMILESCCC(C)N1CCN(CCC(=O)N2CCC3(CC(NC(=O)C(C)C)C3)C2)CC1.[H][H]
InChIInChI=1S/C22H40N4O2.H2/c1-5-18(4)25-12-10-24(11-13-25)8-6-20(27)26-9-7-22(16-26)14-19(15-22)23-21(28)17(2)3;/h17-19H,5-16H2,1-4H3,(H,23,28);1H
InChIKeyZLINNFVVXRYAOX-UHFFFAOYSA-N
XLogP2.19
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.60
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide
CID 154670547
3-(4-butan-2-ylpiperazin-1-yl)-1-(3-butyl-2-oxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 154670296
2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide
CID 164715646
3-(4-butan-2-ylpiperazin-1-yl)propanamide
CID 62772700
N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide
CID 154670605
(2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide
CID 94103625
N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide
CID 170231211
3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide
CID 156820113
4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one
CID 157048753
1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
CID 166169822
1-[7-[(1-butan-2-ylpiperidin-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylbutan-1-one
CID 170979418
N-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide
CID 154670851

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen?
The IUPAC name of N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen (CID 154671378) is N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen is CCC(C)N1CCN(CCC(=O)N2CCC3(CC(NC(=O)C(C)C)C3)C2)CC1.[H][H].
What is the InChIKey of N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen?
The InChIKey is ZLINNFVVXRYAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O2.H2/c1-5-18(4)25-12-10-24(11-13-25)8-6-20(27)26-9-7-22(16-26)14-19(15-22)23-21(28)17(2)3;/h17-19H,5-16H2,1-4H3,(H,23,28);1H.
What are the key properties of N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen?
N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen has a molecular weight of 394.60 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 154671378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).