ethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one

C41H95N7O — CID 157132722

IUPACethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC.CC.CC.CC.CC.CC(C)C1CCNC1.CC(C)N1CCC2(CC1)NCNC2=O.CC(C)N1CCCC1.CC(C)N1CCNCC1
InChIInChI=1S/C10H19N3O.C7H16N2.2C7H15N.5C2H6/c1-8(2)13-5-3-10(4-6-13)9(14)11-7-12-10;1-7(2)9-5-3-8-4-6-9;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;5*1-2/h8,12H,3-7H2,1-2H3,(H,11,14);7-8H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;5*1-2H3
InChIKeyAJGLZADBXAEQPT-UHFFFAOYSA-N
MW702.26 g/mol
LogP8.08
Rot. Bonds4

About ethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one

ethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 157132722) has the molecular formula C41H95N7O and a molecular weight of 702.26 g/mol. Its IUPAC name is ethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Nameethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID157132722
Molecular FormulaC41H95N7O
Molecular Weight702.26 g/mol
Exact Mass701.76
IUPAC Nameethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC.CC.CC.CC.CC.CC(C)C1CCNC1.CC(C)N1CCC2(CC1)NCNC2=O.CC(C)N1CCCC1.CC(C)N1CCNCC1
InChIInChI=1S/C10H19N3O.C7H16N2.2C7H15N.5C2H6/c1-8(2)13-5-3-10(4-6-13)9(14)11-7-12-10;1-7(2)9-5-3-8-4-6-9;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;5*1-2/h8,12H,3-7H2,1-2H3,(H,11,14);7-8H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;5*1-2H3
InChIKeyAJGLZADBXAEQPT-UHFFFAOYSA-N
XLogP8.08
TPSA74.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.26
LogP ≤ 58.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze ethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one 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

3-(2-Methylpropyl)-1-propyl-9-(pyrrolidine-1-carbonyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 21927466
Methane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one
CID 158050923
Ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpyrrolidine);2-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
CID 158470156
Ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
CID 161128435
3-Methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one
CID 161667916
8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620507
8-(2-methylpropanoyl)-3-[1-[(2S)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620508
8-(2-Methylpropanoyl)-3-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110247315
3-(Piperidin-3-ylmethyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 112470023
Sdccgsbi-0662539.P001
CID 171922052

Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of ethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one (CID 157132722) is ethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for ethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for ethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one is CC.CC.CC.CC.CC.CC(C)C1CCNC1.CC(C)N1CCC2(CC1)NCNC2=O.CC(C)N1CCCC1.CC(C)N1CCNCC1.
What is the InChIKey of ethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is AJGLZADBXAEQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.C7H16N2.2C7H15N.5C2H6/c1-8(2)13-5-3-10(4-6-13)9(14)11-7-12-10;1-7(2)9-5-3-8-4-6-9;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;5*1-2/h8,12H,3-7H2,1-2H3,(H,11,14);7-8H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;5*1-2H3.
What are the key properties of ethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
ethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 702.26 g/mol, XLogP of 8.08, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 157132722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).