2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide

C16H28N4O4 — CID 9166096

IUPAC2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide
SMILESCCOCCCNC(=O)NC(=O)CN1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H28N4O4/c1-2-24-11-3-6-17-16(23)18-14(21)12-19-7-9-20(10-8-19)15(22)13-4-5-13/h13H,2-12H2,1H3,(H2,17,18,21,23)
InChIKeyPNPYOHITCVDJDS-UHFFFAOYSA-N
MW340.42 g/mol
LogP-0.21
Rot. Bonds8

About 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide

2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide (PubChem CID 9166096) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide
PubChem CID9166096
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Name2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide
SMILESCCOCCCNC(=O)NC(=O)CN1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H28N4O4/c1-2-24-11-3-6-17-16(23)18-14(21)12-19-7-9-20(10-8-19)15(22)13-4-5-13/h13H,2-12H2,1H3,(H2,17,18,21,23)
InChIKeyPNPYOHITCVDJDS-UHFFFAOYSA-N
XLogP-0.21
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide (CID 9166096) is 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide is CCOCCCNC(=O)NC(=O)CN1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide?
The InChIKey is PNPYOHITCVDJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-2-24-11-3-6-17-16(23)18-14(21)12-19-7-9-20(10-8-19)15(22)13-4-5-13/h13H,2-12H2,1H3,(H2,17,18,21,23).
What are the key properties of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide?
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide has a molecular weight of 340.42 g/mol, XLogP of -0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide is sourced from PubChem (CID 9166096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).