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

C12H23N3O — CID 3472983

IUPACN-(4-methylpiperazin-1-yl)cyclohexanecarboxamide
SMILESCN1CCN(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)
InChIKeyMWCMRIXHKWSDHI-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.85
Rot. Bonds2

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

N-(4-methylpiperazin-1-yl)cyclohexanecarboxamide (PubChem CID 3472983) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)cyclohexanecarboxamide
PubChem CID3472983
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(4-methylpiperazin-1-yl)cyclohexanecarboxamide
SMILESCN1CCN(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)
InChIKeyMWCMRIXHKWSDHI-UHFFFAOYSA-N
XLogP0.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)cyclohexanecarboxamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)cyclohexanecarboxamide (CID 3472983) is N-(4-methylpiperazin-1-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)cyclohexanecarboxamide is CN1CCN(NC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)cyclohexanecarboxamide?
The InChIKey is MWCMRIXHKWSDHI-UHFFFAOYSA-N. 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).
What are the key properties of N-(4-methylpiperazin-1-yl)cyclohexanecarboxamide?
N-(4-methylpiperazin-1-yl)cyclohexanecarboxamide has a molecular weight of 225.34 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)cyclohexanecarboxamide is sourced from PubChem (CID 3472983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).