N-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide

C13H26N4O — CID 142390572

IUPACN-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide
SMILESCN1CCN(CC2CCN(CNC=O)CC2)CC1
InChIInChI=1S/C13H26N4O/c1-15-6-8-16(9-7-15)10-13-2-4-17(5-3-13)11-14-12-18/h12-13H,2-11H2,1H3,(H,14,18)
InChIKeyVKPCYMDFPJFOKS-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.35
Rot. Bonds5

About N-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide

N-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide (PubChem CID 142390572) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide
PubChem CID142390572
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide
SMILESCN1CCN(CC2CCN(CNC=O)CC2)CC1
InChIInChI=1S/C13H26N4O/c1-15-6-8-16(9-7-15)10-13-2-4-17(5-3-13)11-14-12-18/h12-13H,2-11H2,1H3,(H,14,18)
InChIKeyVKPCYMDFPJFOKS-UHFFFAOYSA-N
XLogP-0.35
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-((2,4-dimethylpiperazin-1-yl)methyl)-N-isopropylpiperidine-1-carboxamide
CID 71784791
4-Methylpiperidyl piperazinyl ketone
CID 16637244
4-methyl-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide;dihydrochloride
CID 69684086
4-methyl-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide
CID 69684087
4-methyl-N-(piperidin-4-ylmethyl)piperidine-1-carboxamide
CID 79159545
2-Piperazin-1-ylpiperidine-1-carbaldehyde
CID 89739067
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 90447178
N-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 90447179
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 90447181
N-[(4-methylpiperazin-1-yl)-piperidin-4-ylmethyl]formamide
CID 91272128
4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide
CID 115611138
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 118688721

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide?
The IUPAC name of N-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide (CID 142390572) is N-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide.
What is the SMILES notation for N-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide?
The canonical SMILES for N-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide is CN1CCN(CC2CCN(CNC=O)CC2)CC1.
What is the InChIKey of N-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide?
The InChIKey is VKPCYMDFPJFOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-15-6-8-16(9-7-15)10-13-2-4-17(5-3-13)11-14-12-18/h12-13H,2-11H2,1H3,(H,14,18).
What are the key properties of N-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide?
N-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide has a molecular weight of 254.38 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide is sourced from PubChem (CID 142390572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).