2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide

C11H22N4O — CID 116678776

IUPAC2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
SMILESCC(C(=O)NN1CCN(C)CC1)C1CNC1
InChIInChI=1S/C11H22N4O/c1-9(10-7-12-8-10)11(16)13-15-5-3-14(2)4-6-15/h9-10,12H,3-8H2,1-2H3,(H,13,16)
InChIKeyOBAAHAKVSXVWMA-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.88
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide

2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide (PubChem CID 116678776) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
PubChem CID116678776
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
SMILESCC(C(=O)NN1CCN(C)CC1)C1CNC1
InChIInChI=1S/C11H22N4O/c1-9(10-7-12-8-10)11(16)13-15-5-3-14(2)4-6-15/h9-10,12H,3-8H2,1-2H3,(H,13,16)
InChIKeyOBAAHAKVSXVWMA-UHFFFAOYSA-N
XLogP-0.88
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide (CID 116678776) is 2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide is CC(C(=O)NN1CCN(C)CC1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is OBAAHAKVSXVWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-9(10-7-12-8-10)11(16)13-15-5-3-14(2)4-6-15/h9-10,12H,3-8H2,1-2H3,(H,13,16).
What are the key properties of 2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide?
2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 226.32 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 116678776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).