2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide

C15H27N4O3+ — CID 9328417

IUPAC2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)C[NH+]1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H26N4O3/c1-11(2)9-16-15(22)17-13(20)10-18-5-7-19(8-6-18)14(21)12-3-4-12/h11-12H,3-10H2,1-2H3,(H2,16,17,20,22)/p+1
InChIKeyDZFDTAXSLSFKEV-UHFFFAOYSA-O
MW311.41 g/mol
LogP-1.39
Rot. Bonds5

About 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide

2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 9328417) has the molecular formula C15H27N4O3+ and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID9328417
Molecular FormulaC15H27N4O3+
Molecular Weight311.41 g/mol
Exact Mass311.21
IUPAC Name2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)C[NH+]1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H26N4O3/c1-11(2)9-16-15(22)17-13(20)10-18-5-7-19(8-6-18)14(21)12-3-4-12/h11-12H,3-10H2,1-2H3,(H2,16,17,20,22)/p+1
InChIKeyDZFDTAXSLSFKEV-UHFFFAOYSA-O
XLogP-1.39
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide (CID 9328417) is 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)C[NH+]1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is DZFDTAXSLSFKEV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H26N4O3/c1-11(2)9-16-15(22)17-13(20)10-18-5-7-19(8-6-18)14(21)12-3-4-12/h11-12H,3-10H2,1-2H3,(H2,16,17,20,22)/p+1.
What are the key properties of 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 311.41 g/mol, XLogP of -1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 9328417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).