N-(4-formylpiperazin-1-yl)-2-methylpropanamide

C9H17N3O2 — CID 170106801

IUPACN-(4-formylpiperazin-1-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NN1CCN(C=O)CC1
InChIInChI=1S/C9H17N3O2/c1-8(2)9(14)10-12-5-3-11(7-13)4-6-12/h7-8H,3-6H2,1-2H3,(H,10,14)
InChIKeyGRGGBCNDXUDLKH-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.55
Rot. Bonds3

About N-(4-formylpiperazin-1-yl)-2-methylpropanamide

N-(4-formylpiperazin-1-yl)-2-methylpropanamide (PubChem CID 170106801) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(4-formylpiperazin-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-formylpiperazin-1-yl)-2-methylpropanamide
PubChem CID170106801
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-(4-formylpiperazin-1-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NN1CCN(C=O)CC1
InChIInChI=1S/C9H17N3O2/c1-8(2)9(14)10-12-5-3-11(7-13)4-6-12/h7-8H,3-6H2,1-2H3,(H,10,14)
InChIKeyGRGGBCNDXUDLKH-UHFFFAOYSA-N
XLogP-0.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
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 N-(4-formylpiperazin-1-yl)-2-methylpropanamide?
The IUPAC name of N-(4-formylpiperazin-1-yl)-2-methylpropanamide (CID 170106801) is N-(4-formylpiperazin-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-formylpiperazin-1-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-formylpiperazin-1-yl)-2-methylpropanamide is CC(C)C(=O)NN1CCN(C=O)CC1.
What is the InChIKey of N-(4-formylpiperazin-1-yl)-2-methylpropanamide?
The InChIKey is GRGGBCNDXUDLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-8(2)9(14)10-12-5-3-11(7-13)4-6-12/h7-8H,3-6H2,1-2H3,(H,10,14).
What are the key properties of N-(4-formylpiperazin-1-yl)-2-methylpropanamide?
N-(4-formylpiperazin-1-yl)-2-methylpropanamide has a molecular weight of 199.25 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylpiperazin-1-yl)-2-methylpropanamide is sourced from PubChem (CID 170106801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).