N-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide

C27H52N4O4 — CID 147513426

IUPACN-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide
SMILESCNC(=O)COCCCCCN1CCC(CCNC(=O)COCCCCN2CCC(C)CC2)CC1
InChIInChI=1S/C27H52N4O4/c1-24-9-16-30(17-10-24)15-5-7-21-35-23-27(33)29-13-8-25-11-18-31(19-12-25)14-4-3-6-20-34-22-26(32)28-2/h24-25H,3-23H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyFJTAVBPXLIPYLX-UHFFFAOYSA-N
MW496.74 g/mol
LogP2.67
Rot. Bonds18

About N-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide

N-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide (PubChem CID 147513426) has the molecular formula C27H52N4O4 and a molecular weight of 496.74 g/mol. Its IUPAC name is N-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide
PubChem CID147513426
Molecular FormulaC27H52N4O4
Molecular Weight496.74 g/mol
Exact Mass496.40
IUPAC NameN-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide
SMILESCNC(=O)COCCCCCN1CCC(CCNC(=O)COCCCCN2CCC(C)CC2)CC1
InChIInChI=1S/C27H52N4O4/c1-24-9-16-30(17-10-24)15-5-7-21-35-23-27(33)29-13-8-25-11-18-31(19-12-25)14-4-3-6-20-34-22-26(32)28-2/h24-25H,3-23H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyFJTAVBPXLIPYLX-UHFFFAOYSA-N
XLogP2.67
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.74
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide
CID 134582620
N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide
CID 134583067
2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid
CID 163629544
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
N-[3-(4-methylpiperidin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604980
N-methyl-2-[2-[4-(4-methylphenoxy)butoxy]ethoxy]acetamide;N-methyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]acetamide;N-methyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]acetamide;N-methyl-2-[4-[3-(4-methylphenoxy)propyl]piperazin-1-yl]acetamide;N-methyl-2-[4-(4-methylpiperidin-1-yl)butoxy]acetamide;N-methyl-2-[2-(4-methylpiperidin-1-yl)ethoxy]acetamide;N-methyl-2-[4-[2-(4-methylpiperidin-1-yl)ethoxy]butoxy]acetamide;N-methyl-2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethoxy]acetamide;N-methyl-2-[5-[2-(4-methylpiperidin-1-yl)ethoxy]pentoxy]acetamide;N-methyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]propoxy]acetamide;N-methyl-2-[2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]propoxy]ethoxy]acetamide;N-methyl-2-[5-(4-methylpiperidin-1-yl)pentoxy]acetamide;N-methyl-2-[3-(4-methylpiperidin-1-yl)propoxy]acetamide
CID 159251175
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605264
N-methyl-2-[4-[4-(4-methylphenoxy)butyl]piperazin-1-yl]acetamide;N-methyl-2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethyl]piperazin-1-yl]acetamide;N-methyl-2-[1-[2-[2-(4-methylphenoxy)ethoxy]ethyl]piperidin-4-yl]acetamide;N-methyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]acetamide;N-methyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]acetamide;N-methyl-2-[4-[5-(4-methylphenoxy)pentyl]piperazin-1-yl]acetamide;N-methyl-2-[4-[3-(4-methylphenoxy)propyl]piperazin-1-yl]acetamide;N-methyl-2-[2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]propoxy]ethoxy]acetamide;N-methyl-2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetamide
CID 157433221
N-(2-cyclobutylethyl)-2-propoxyacetamide
CID 103747320
2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide
CID 134582817
2-(cyclopropylmethylamino)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 119850882
1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111786671

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide?
The IUPAC name of N-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide (CID 147513426) is N-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide.
What is the SMILES notation for N-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide?
The canonical SMILES for N-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide is CNC(=O)COCCCCCN1CCC(CCNC(=O)COCCCCN2CCC(C)CC2)CC1.
What is the InChIKey of N-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide?
The InChIKey is FJTAVBPXLIPYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52N4O4/c1-24-9-16-30(17-10-24)15-5-7-21-35-23-27(33)29-13-8-25-11-18-31(19-12-25)14-4-3-6-20-34-22-26(32)28-2/h24-25H,3-23H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide?
N-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide has a molecular weight of 496.74 g/mol, XLogP of 2.67, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide is sourced from PubChem (CID 147513426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).