N-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide

C14H26N4O2 — CID 8896226

IUPACN-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H26N4O2/c1-17-7-9-18(10-8-17)11-13(19)16-14(20)15-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H2,15,16,19,20)
InChIKeyMSFNTLXMKSTICY-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.39
Rot. Bonds3

About N-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide

N-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 8896226) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID8896226
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H26N4O2/c1-17-7-9-18(10-8-17)11-13(19)16-14(20)15-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H2,15,16,19,20)
InChIKeyMSFNTLXMKSTICY-UHFFFAOYSA-N
XLogP0.39
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide (CID 8896226) is N-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is MSFNTLXMKSTICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-17-7-9-18(10-8-17)11-13(19)16-14(20)15-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H2,15,16,19,20).
What are the key properties of N-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 282.39 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8896226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).