N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide

C12H24N4O2 — CID 62673671

IUPACN-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
SMILESCCCCNC(=O)NC(=O)CN1CCNCC1C
InChIInChI=1S/C12H24N4O2/c1-3-4-5-14-12(18)15-11(17)9-16-7-6-13-8-10(16)2/h10,13H,3-9H2,1-2H3,(H2,14,15,17,18)
InChIKeyJNYBWOQNCIGUCW-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.09
Rot. Bonds5

About N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide

N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide (PubChem CID 62673671) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
PubChem CID62673671
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
SMILESCCCCNC(=O)NC(=O)CN1CCNCC1C
InChIInChI=1S/C12H24N4O2/c1-3-4-5-14-12(18)15-11(17)9-16-7-6-13-8-10(16)2/h10,13H,3-9H2,1-2H3,(H2,14,15,17,18)
InChIKeyJNYBWOQNCIGUCW-UHFFFAOYSA-N
XLogP-0.09
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide (CID 62673671) is N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide is CCCCNC(=O)NC(=O)CN1CCNCC1C.
What is the InChIKey of N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide?
The InChIKey is JNYBWOQNCIGUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-3-4-5-14-12(18)15-11(17)9-16-7-6-13-8-10(16)2/h10,13H,3-9H2,1-2H3,(H2,14,15,17,18).
What are the key properties of N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide?
N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide has a molecular weight of 256.35 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 62673671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).