N-cyclohexyl-4-formylpiperazine-1-carboxamide

C12H21N3O2 — CID 3725734

IUPACN-cyclohexyl-4-formylpiperazine-1-carboxamide
SMILESO=CN1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C12H21N3O2/c16-10-14-6-8-15(9-7-14)12(17)13-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,13,17)
InChIKeySIXPTGDIOHYXBO-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.80
Rot. Bonds2

About N-cyclohexyl-4-formylpiperazine-1-carboxamide

N-cyclohexyl-4-formylpiperazine-1-carboxamide (PubChem CID 3725734) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-cyclohexyl-4-formylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-formylpiperazine-1-carboxamide
PubChem CID3725734
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-cyclohexyl-4-formylpiperazine-1-carboxamide
SMILESO=CN1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C12H21N3O2/c16-10-14-6-8-15(9-7-14)12(17)13-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,13,17)
InChIKeySIXPTGDIOHYXBO-UHFFFAOYSA-N
XLogP0.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclohexyl-4-formylpiperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-formylpiperazine-1-carboxamide (CID 3725734) is N-cyclohexyl-4-formylpiperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-formylpiperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-formylpiperazine-1-carboxamide is O=CN1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-formylpiperazine-1-carboxamide?
The InChIKey is SIXPTGDIOHYXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c16-10-14-6-8-15(9-7-14)12(17)13-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,13,17).
What are the key properties of N-cyclohexyl-4-formylpiperazine-1-carboxamide?
N-cyclohexyl-4-formylpiperazine-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-formylpiperazine-1-carboxamide is sourced from PubChem (CID 3725734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).