N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide

C14H29N5O — CID 107912433

IUPACN'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C14H29N5O/c1-14(2,13(15)16-20)19-11-9-18(10-12-19)8-7-17-5-3-4-6-17/h20H,3-12H2,1-2H3,(H2,15,16)
InChIKeyLKPUKJUINIYBBZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.22
Rot. Bonds5

About N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide (PubChem CID 107912433) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide
PubChem CID107912433
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC NameN'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C14H29N5O/c1-14(2,13(15)16-20)19-11-9-18(10-12-19)8-7-17-5-3-4-6-17/h20H,3-12H2,1-2H3,(H2,15,16)
InChIKeyLKPUKJUINIYBBZ-UHFFFAOYSA-N
XLogP0.22
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide (CID 107912433) is N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide is CC(C)(C(N)=NO)N1CCN(CCN2CCCC2)CC1.
What is the InChIKey of N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide?
The InChIKey is LKPUKJUINIYBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O/c1-14(2,13(15)16-20)19-11-9-18(10-12-19)8-7-17-5-3-4-6-17/h20H,3-12H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide has a molecular weight of 283.42 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 107912433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).