N-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarboxamide

C12H24N3O+ — CID 7722116

IUPACN-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarboxamide
SMILESC[NH+]1CCN(NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C12H23N3O/c1-14-7-9-15(10-8-14)13-12(16)11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,13,16)/p+1
InChIKeyMWCMRIXHKWSDHI-UHFFFAOYSA-O
MW226.34 g/mol
LogP-0.57
Rot. Bonds2

About N-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarboxamide

N-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarboxamide (PubChem CID 7722116) has the molecular formula C12H24N3O+ and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarboxamide
PubChem CID7722116
Molecular FormulaC12H24N3O+
Molecular Weight226.34 g/mol
Exact Mass226.19
IUPAC NameN-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarboxamide
SMILESC[NH+]1CCN(NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C12H23N3O/c1-14-7-9-15(10-8-14)13-12(16)11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,13,16)/p+1
InChIKeyMWCMRIXHKWSDHI-UHFFFAOYSA-O
XLogP-0.57
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarboxamide?
The IUPAC name of N-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarboxamide (CID 7722116) is N-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarboxamide is C[NH+]1CCN(NC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarboxamide?
The InChIKey is MWCMRIXHKWSDHI-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H23N3O/c1-14-7-9-15(10-8-14)13-12(16)11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,13,16)/p+1.
What are the key properties of N-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarboxamide?
N-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarboxamide has a molecular weight of 226.34 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarboxamide is sourced from PubChem (CID 7722116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).