2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide

C13H21N3O3 — CID 109130437

IUPAC2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1CC1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C13H21N3O3/c1-2-3-14-12(18)10-8-11(10)13(19)16-6-4-15(9-17)5-7-16/h9-11H,2-8H2,1H3,(H,14,18)
InChIKeyKUFRPJGJHVNNCS-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.55
Rot. Bonds5

About 2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide

2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide (PubChem CID 109130437) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide
PubChem CID109130437
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1CC1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C13H21N3O3/c1-2-3-14-12(18)10-8-11(10)13(19)16-6-4-15(9-17)5-7-16/h9-11H,2-8H2,1H3,(H,14,18)
InChIKeyKUFRPJGJHVNNCS-UHFFFAOYSA-N
XLogP-0.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide?
The IUPAC name of 2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide (CID 109130437) is 2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide is CCCNC(=O)C1CC1C(=O)N1CCN(C=O)CC1.
What is the InChIKey of 2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide?
The InChIKey is KUFRPJGJHVNNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-3-14-12(18)10-8-11(10)13(19)16-6-4-15(9-17)5-7-16/h9-11H,2-8H2,1H3,(H,14,18).
What are the key properties of 2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide?
2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 109130437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).