N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide

C13H26N4O — CID 162766916

IUPACN-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(CN2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N4O/c1-14-13(18)17-5-3-12(4-6-17)11-16-9-7-15(2)8-10-16/h12H,3-11H2,1-2H3,(H,14,18)
InChIKeyFYKPSMTZIUMODI-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.29
Rot. Bonds2

About N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide

N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 162766916) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID162766916
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(CN2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N4O/c1-14-13(18)17-5-3-12(4-6-17)11-16-9-7-15(2)8-10-16/h12H,3-11H2,1-2H3,(H,14,18)
InChIKeyFYKPSMTZIUMODI-UHFFFAOYSA-N
XLogP0.29
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 24794972
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 126446250
4-[(dimethylamino)methyl]-N-methylpiperidine-1-carboxamide
CID 115583877
N-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 154736862
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
ethane;2-methylpropyl 4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxylate
CID 171073017
ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate
CID 20907546
N-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanamine
CID 171641734
4-(azepan-1-ylmethyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]piperidine-1-carboxamide
CID 55807400
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
4-(hydroxymethyl)-N-methylazepane-1-carboxamide
CID 130892258

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide (CID 162766916) is N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide is CNC(=O)N1CCC(CN2CCN(C)CC2)CC1.
What is the InChIKey of N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is FYKPSMTZIUMODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-14-13(18)17-5-3-12(4-6-17)11-16-9-7-15(2)8-10-16/h12H,3-11H2,1-2H3,(H,14,18).
What are the key properties of N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 254.38 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 162766916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).