N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone

C34H66N8O2 — CID 177321628

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
SMILESCN1CCC(CC(=O)N2CCC(CN3CCN(C)CC3)CC2)CC1.CN1CCC(CC(=O)NCCN2CCN(C)CC2)CC1
InChIInChI=1S/C19H36N4O.C15H30N4O/c1-20-7-3-17(4-8-20)15-19(24)23-9-5-18(6-10-23)16-22-13-11-21(2)12-14-22;1-17-6-3-14(4-7-17)13-15(20)16-5-8-19-11-9-18(2)10-12-19/h17-18H,3-16H2,1-2H3;14H,3-13H2,1-2H3,(H,16,20)
InChIKeyVXMNMXLXIQJNJN-UHFFFAOYSA-N
MW618.96 g/mol
LogP1.29
Rot. Bonds9

About N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone

N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone (PubChem CID 177321628) has the molecular formula C34H66N8O2 and a molecular weight of 618.96 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
PubChem CID177321628
Molecular FormulaC34H66N8O2
Molecular Weight618.96 g/mol
Exact Mass618.53
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
SMILESCN1CCC(CC(=O)N2CCC(CN3CCN(C)CC3)CC2)CC1.CN1CCC(CC(=O)NCCN2CCN(C)CC2)CC1
InChIInChI=1S/C19H36N4O.C15H30N4O/c1-20-7-3-17(4-8-20)15-19(24)23-9-5-18(6-10-23)16-22-13-11-21(2)12-14-22;1-17-6-3-14(4-7-17)13-15(20)16-5-8-19-11-9-18(2)10-12-19/h17-18H,3-16H2,1-2H3;14H,3-13H2,1-2H3,(H,16,20)
InChIKeyVXMNMXLXIQJNJN-UHFFFAOYSA-N
XLogP1.29
TPSA68.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.96
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 162766916
N-(3-ethoxypropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969773
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 64610391
ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 176578435
2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 55116762
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 60925043
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 46295063
2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 176577064
ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide
CID 177321931
ethyl 2-[4-[[1-(2-cyclohexylacetyl)piperidin-4-yl]methyl]piperazin-1-yl]acetate
CID 176578183

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone (CID 177321628) is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone is CN1CCC(CC(=O)N2CCC(CN3CCN(C)CC3)CC2)CC1.CN1CCC(CC(=O)NCCN2CCN(C)CC2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The InChIKey is VXMNMXLXIQJNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O.C15H30N4O/c1-20-7-3-17(4-8-20)15-19(24)23-9-5-18(6-10-23)16-22-13-11-21(2)12-14-22;1-17-6-3-14(4-7-17)13-15(20)16-5-8-19-11-9-18(2)10-12-19/h17-18H,3-16H2,1-2H3;14H,3-13H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone has a molecular weight of 618.96 g/mol, XLogP of 1.29, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 177321628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).