N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide

C13H25N3O — CID 86916265

IUPACN-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)N1CCN(C(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C13H25N3O/c1-10(2)15-6-8-16(9-7-15)11(3)13(17)14-12-4-5-12/h10-12H,4-9H2,1-3H3,(H,14,17)
InChIKeyZASKVCGJHINTIN-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds4

About N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide

N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide (PubChem CID 86916265) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide
PubChem CID86916265
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)N1CCN(C(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C13H25N3O/c1-10(2)15-6-8-16(9-7-15)11(3)13(17)14-12-4-5-12/h10-12H,4-9H2,1-3H3,(H,14,17)
InChIKeyZASKVCGJHINTIN-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide (CID 86916265) is N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide is CC(C)N1CCN(C(C)C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide?
The InChIKey is ZASKVCGJHINTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)15-6-8-16(9-7-15)11(3)13(17)14-12-4-5-12/h10-12H,4-9H2,1-3H3,(H,14,17).
What are the key properties of N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide?
N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide has a molecular weight of 239.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 86916265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).