N-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone

C44H85N9O8 — CID 170620629

IUPACN-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N(C)CCOCCOCCOCCOCCOCCC(=O)N1CCN(CC2CCNCC2)CC1.CN1CCC(CN2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C26H50N4O7.C18H35N5O/c1-24(31)28(2)12-14-34-16-18-36-20-22-37-21-19-35-17-15-33-13-5-26(32)30-10-8-29(9-11-30)23-25-3-6-27-7-4-25;1-19-5-3-17(4-6-19)15-21-11-13-23(14-12-21)18(24)16-22-9-7-20(2)8-10-22/h25,27H,3-23H2,1-2H3;17H,3-16H2,1-2H3
InChIKeyMKOQHAMGMWKKOY-UHFFFAOYSA-N
MW868.22 g/mol
LogP-0.20
Rot. Bonds24

About N-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone

N-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 170620629) has the molecular formula C44H85N9O8 and a molecular weight of 868.22 g/mol. Its IUPAC name is N-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound NameN-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID170620629
Molecular FormulaC44H85N9O8
Molecular Weight868.22 g/mol
Exact Mass867.65
IUPAC NameN-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N(C)CCOCCOCCOCCOCCOCCC(=O)N1CCN(CC2CCNCC2)CC1.CN1CCC(CN2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C26H50N4O7.C18H35N5O/c1-24(31)28(2)12-14-34-16-18-36-20-22-37-21-19-35-17-15-33-13-5-26(32)30-10-8-29(9-11-30)23-25-3-6-27-7-4-25;1-19-5-3-17(4-6-19)15-21-11-13-23(14-12-21)18(24)16-22-9-7-20(2)8-10-22/h25,27H,3-23H2,1-2H3;17H,3-16H2,1-2H3
InChIKeyMKOQHAMGMWKKOY-UHFFFAOYSA-N
XLogP-0.20
TPSA135.31 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

(2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 159105749
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-methylpiperidine-4-carboxamide;N-heptyl-1-methylpiperidine-4-carboxamide;N-hexyl-1-methylpiperidine-4-carboxamide;4-[(1-methylpiperidin-4-yl)methyl]morpholine;1-methyl-N-(2-propoxyethyl)piperidine-4-carboxamide
CID 159160877
N-[2-(dimethylamino)ethyl]propanamide;N,N-dimethylmethanamine;2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;1-(2-methoxyethyl)piperidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)propan-1-one;1-methylpiperidine;N,N',N'-trimethylethane-1,2-diamine
CID 161252831
3-[(Tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one)
CID 163802675
2-[4-(4-methoxybutyl)piperazin-1-yl]-N-methylacetamide;2-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]-N-methylacetamide;2-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-N-methylacetamide;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylacetamide;2-[1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide;2-[4-(5-methoxypentyl)piperazin-1-yl]-N-methylacetamide;2-[4-(3-methoxypropyl)piperazin-1-yl]-N-methylacetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide;N-methyl-2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetamide;N-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 167542068
ethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 177322202

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of N-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone (CID 170620629) is N-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for N-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for N-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N(C)CCOCCOCCOCCOCCOCCC(=O)N1CCN(CC2CCNCC2)CC1.CN1CCC(CN2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1.
What is the InChIKey of N-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is MKOQHAMGMWKKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N4O7.C18H35N5O/c1-24(31)28(2)12-14-34-16-18-36-20-22-37-21-19-35-17-15-33-13-5-26(32)30-10-8-29(9-11-30)23-25-3-6-27-7-4-25;1-19-5-3-17(4-6-19)15-21-11-13-23(14-12-21)18(24)16-22-9-7-20(2)8-10-22/h25,27H,3-23H2,1-2H3;17H,3-16H2,1-2H3.
What are the key properties of N-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
N-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 868.22 g/mol, XLogP of -0.20, 24 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 170620629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).