2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

C13H26N4O — CID 64610391

IUPAC2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
SMILESCN1CCN(CCCNC(=O)CC2CNC2)CC1
InChIInChI=1S/C13H26N4O/c1-16-5-7-17(8-6-16)4-2-3-15-13(18)9-12-10-14-11-12/h12,14H,2-11H2,1H3,(H,15,18)
InChIKeyLBNYGNZFHLGUBA-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.65
Rot. Bonds6

About 2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide (PubChem CID 64610391) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
PubChem CID64610391
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
SMILESCN1CCN(CCCNC(=O)CC2CNC2)CC1
InChIInChI=1S/C13H26N4O/c1-16-5-7-17(8-6-16)4-2-3-15-13(18)9-12-10-14-11-12/h12,14H,2-11H2,1H3,(H,15,18)
InChIKeyLBNYGNZFHLGUBA-UHFFFAOYSA-N
XLogP-0.65
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901090
N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide
CID 61251319
2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393131
N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 55150802
2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 60707604
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 54579772
N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide
CID 119901093
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604362
2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide
CID 115739196
2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
CID 142043493
3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707878

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide (CID 64610391) is 2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide is CN1CCN(CCCNC(=O)CC2CNC2)CC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide?
The InChIKey is LBNYGNZFHLGUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-16-5-7-17(8-6-16)4-2-3-15-13(18)9-12-10-14-11-12/h12,14H,2-11H2,1H3,(H,15,18).
What are the key properties of 2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide?
2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide has a molecular weight of 254.38 g/mol, XLogP of -0.65, 6 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-[3-(4-methylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 64610391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).