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

C13H25N3O — CID 21409858

IUPACN-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]formamide
SMILESCN1CCN(C2(CNC=O)CCCCC2)CC1
InChIInChI=1S/C13H25N3O/c1-15-7-9-16(10-8-15)13(11-14-12-17)5-3-2-4-6-13/h12H,2-11H2,1H3,(H,14,17)
InChIKeyOWJXORGSINOQRE-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds4

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

N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]formamide (PubChem CID 21409858) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]formamide.

Molecular Properties

Compound NameN-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]formamide
PubChem CID21409858
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]formamide
SMILESCN1CCN(C2(CNC=O)CCCCC2)CC1
InChIInChI=1S/C13H25N3O/c1-15-7-9-16(10-8-15)13(11-14-12-17)5-3-2-4-6-13/h12H,2-11H2,1H3,(H,14,17)
InChIKeyOWJXORGSINOQRE-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]formamide?
The IUPAC name of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]formamide (CID 21409858) is N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]formamide.
What is the SMILES notation for N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]formamide?
The canonical SMILES for N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]formamide is CN1CCN(C2(CNC=O)CCCCC2)CC1.
What is the InChIKey of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]formamide?
The InChIKey is OWJXORGSINOQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15-7-9-16(10-8-15)13(11-14-12-17)5-3-2-4-6-13/h12H,2-11H2,1H3,(H,14,17).
What are the key properties of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]formamide?
N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]formamide has a molecular weight of 239.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]formamide is sourced from PubChem (CID 21409858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).