N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide

C13H25N3O — CID 82511228

IUPACN-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide
SMILESO=CNC1(CN2CCNCC2)CCCCCC1
InChIInChI=1S/C13H25N3O/c17-12-15-13(5-3-1-2-4-6-13)11-16-9-7-14-8-10-16/h12,14H,1-11H2,(H,15,17)
InChIKeyRTCARNGLYRHRMK-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.73
Rot. Bonds4

About N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide

N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide (PubChem CID 82511228) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide.

Molecular Properties

Compound NameN-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide
PubChem CID82511228
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide
SMILESO=CNC1(CN2CCNCC2)CCCCCC1
InChIInChI=1S/C13H25N3O/c17-12-15-13(5-3-1-2-4-6-13)11-16-9-7-14-8-10-16/h12,14H,1-11H2,(H,15,17)
InChIKeyRTCARNGLYRHRMK-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
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-(piperazin-1-ylmethyl)cycloheptyl]formamide?
The IUPAC name of N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide (CID 82511228) is N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide.
What is the SMILES notation for N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide?
The canonical SMILES for N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide is O=CNC1(CN2CCNCC2)CCCCCC1.
What is the InChIKey of N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide?
The InChIKey is RTCARNGLYRHRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c17-12-15-13(5-3-1-2-4-6-13)11-16-9-7-14-8-10-16/h12,14H,1-11H2,(H,15,17).
What are the key properties of N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide?
N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide has a molecular weight of 239.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide is sourced from PubChem (CID 82511228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).