2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one

C22H43N3O — CID 162766863

IUPAC2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one
SMILESCC(C)C(C)(C)CC(C)(C)C(=O)N1CCC(CN2CCN(C)CC2)CC1
InChIInChI=1S/C22H43N3O/c1-18(2)21(3,4)17-22(5,6)20(26)25-10-8-19(9-11-25)16-24-14-12-23(7)13-15-24/h18-19H,8-17H2,1-7H3
InChIKeyADIKLYOPWWVAAD-UHFFFAOYSA-N
MW365.61 g/mol
LogP3.57
Rot. Bonds6

About 2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one

2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one (PubChem CID 162766863) has the molecular formula C22H43N3O and a molecular weight of 365.61 g/mol. Its IUPAC name is 2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one
PubChem CID162766863
Molecular FormulaC22H43N3O
Molecular Weight365.61 g/mol
Exact Mass365.34
IUPAC Name2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one
SMILESCC(C)C(C)(C)CC(C)(C)C(=O)N1CCC(CN2CCN(C)CC2)CC1
InChIInChI=1S/C22H43N3O/c1-18(2)21(3,4)17-22(5,6)20(26)25-10-8-19(9-11-25)16-24-14-12-23(7)13-15-24/h18-19H,8-17H2,1-7H3
InChIKeyADIKLYOPWWVAAD-UHFFFAOYSA-N
XLogP3.57
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one with MolForge

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Related Compounds

2,2,4,4-tetramethyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-one
CID 163269367
1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one
CID 163269179
2-bromo-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328312
N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 162766916
ethane;2-methylpropyl 4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxylate
CID 171073017
2,2-dimethyl-3-oxo-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 82821865
2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328262
[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 167480597
2-amino-2-cyclopropyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60964191
1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane
CID 177194731
2,2-dimethyl-3-oxo-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
CID 63007703
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 126446250

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one?
The IUPAC name of 2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one (CID 162766863) is 2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one?
The canonical SMILES for 2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one is CC(C)C(C)(C)CC(C)(C)C(=O)N1CCC(CN2CCN(C)CC2)CC1.
What is the InChIKey of 2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one?
The InChIKey is ADIKLYOPWWVAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O/c1-18(2)21(3,4)17-22(5,6)20(26)25-10-8-19(9-11-25)16-24-14-12-23(7)13-15-24/h18-19H,8-17H2,1-7H3.
What are the key properties of 2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one?
2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one has a molecular weight of 365.61 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 162766863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).