N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide

C14H30N4O3 — CID 103409998

IUPACN'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide
SMILESCOCCOCCCN1CCN(C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H30N4O3/c1-14(2,13(15)16-19)18-8-6-17(7-9-18)5-4-10-21-12-11-20-3/h19H,4-12H2,1-3H3,(H2,15,16)
InChIKeyPJDBCVRRWUDTDJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.18
Rot. Bonds9

About N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide

N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide (PubChem CID 103409998) has the molecular formula C14H30N4O3 and a molecular weight of 302.42 g/mol. Its IUPAC name is N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide
PubChem CID103409998
Molecular FormulaC14H30N4O3
Molecular Weight302.42 g/mol
Exact Mass302.23
IUPAC NameN'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide
SMILESCOCCOCCCN1CCN(C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H30N4O3/c1-14(2,13(15)16-19)18-8-6-17(7-9-18)5-4-10-21-12-11-20-3/h19H,4-12H2,1-3H3,(H2,15,16)
InChIKeyPJDBCVRRWUDTDJ-UHFFFAOYSA-N
XLogP0.18
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide
CID 55201586
N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide
CID 55219817
N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide
CID 107912433
N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide
CID 104562250
N'-hydroxy-5-(2-methoxyethoxy)-2,2-dimethylpentanimidamide
CID 77063432
N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide
CID 104863517
2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine
CID 103409181
6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710782
2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]acetic acid
CID 103410865
2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanethioamide
CID 103409822
N'-hydroxy-4-(3-methoxypropoxy)-2,2-dimethylbutanimidamide
CID 77062623
N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide
CID 77012082

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide (CID 103409998) is N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide is COCCOCCCN1CCN(C(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide?
The InChIKey is PJDBCVRRWUDTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O3/c1-14(2,13(15)16-19)18-8-6-17(7-9-18)5-4-10-21-12-11-20-3/h19H,4-12H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide?
N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide has a molecular weight of 302.42 g/mol, XLogP of 0.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide is sourced from PubChem (CID 103409998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).