ethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

C42H84N8O2 — CID 177321489

IUPACethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC.CC(C)N1CCC(CC(=O)NCCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCN(CC2CCN(C(=O)CC3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C21H40N4O.C19H38N4O.C2H6/c1-18(2)24-14-12-23(13-15-24)17-20-6-10-25(11-7-20)21(26)16-19-4-8-22(3)9-5-19;1-16(2)22-8-5-18(6-9-22)15-19(24)20-7-10-21-11-13-23(14-12-21)17(3)4;1-2/h18-20H,4-17H2,1-3H3;16-18H,5-15H2,1-4H3,(H,20,24);1-2H3
InChIKeyXLQXQAZOTZJLFT-UHFFFAOYSA-N
MW733.19 g/mol
LogP4.65
Rot. Bonds12

About ethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

ethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 177321489) has the molecular formula C42H84N8O2 and a molecular weight of 733.19 g/mol. Its IUPAC name is ethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Nameethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID177321489
Molecular FormulaC42H84N8O2
Molecular Weight733.19 g/mol
Exact Mass732.67
IUPAC Nameethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC.CC(C)N1CCC(CC(=O)NCCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCN(CC2CCN(C(=O)CC3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C21H40N4O.C19H38N4O.C2H6/c1-18(2)24-14-12-23(13-15-24)17-20-6-10-25(11-7-20)21(26)16-19-4-8-22(3)9-5-19;1-16(2)22-8-5-18(6-9-22)15-19(24)20-7-10-21-11-13-23(14-12-21)17(3)4;1-2/h18-20H,4-17H2,1-3H3;16-18H,5-15H2,1-4H3,(H,20,24);1-2H3
InChIKeyXLQXQAZOTZJLFT-UHFFFAOYSA-N
XLogP4.65
TPSA68.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500733.19
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

[4-(3-Amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-azabicyclo[2.2.2]octan-3-yl)methanone
CID 134340080
N-(1-azabicyclo[2.2.2]octan-3-yl)-N,2-dimethyl-3-[(5R)-5-(2-methylpropanoylamino)-1-azabicyclo[2.2.2]octan-2-yl]propanamide
CID 134565752
N-methyl-N-[1-[2-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]ethyl]piperidin-4-yl]-2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 134582812
N-methyl-N-[[1-[2-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]ethyl]piperidin-4-yl]methyl]-2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 134583082
N-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide
CID 135174564
(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685318
(3S)-1-[4-methyl-1-oxo-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685320
(3S)-1-[(2S)-4-methyl-1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685553
(3S)-1-[4-methyl-1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685558
2-[4-[4-[2-[[2-[4-(Piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide
CID 142390578
N-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 142390739
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide
CID 157080063

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of ethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 177321489) is ethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for ethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for ethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is CC.CC(C)N1CCC(CC(=O)NCCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCN(CC2CCN(C(=O)CC3CCN(C)CC3)CC2)CC1.
What is the InChIKey of ethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is XLQXQAZOTZJLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O.C19H38N4O.C2H6/c1-18(2)24-14-12-23(13-15-24)17-20-6-10-25(11-7-20)21(26)16-19-4-8-22(3)9-5-19;1-16(2)22-8-5-18(6-9-22)15-19(24)20-7-10-21-11-13-23(14-12-21)17(3)4;1-2/h18-20H,4-17H2,1-3H3;16-18H,5-15H2,1-4H3,(H,20,24);1-2H3.
What are the key properties of ethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
ethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 733.19 g/mol, XLogP of 4.65, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-methylpiperidin-4-yl)-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 177321489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).