4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide

C14H27N5O2 — CID 104892242

IUPAC4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
SMILESCCCC(C(N)=NO)N1CCN(C(=O)NC2CCC2)CC1
InChIInChI=1S/C14H27N5O2/c1-2-4-12(13(15)17-21)18-7-9-19(10-8-18)14(20)16-11-5-3-6-11/h11-12,21H,2-10H2,1H3,(H2,15,17)(H,16,20)
InChIKeyNWJPIUMTTRRINF-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.78
Rot. Bonds5

About 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide

4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide (PubChem CID 104892242) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
PubChem CID104892242
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
SMILESCCCC(C(N)=NO)N1CCN(C(=O)NC2CCC2)CC1
InChIInChI=1S/C14H27N5O2/c1-2-4-12(13(15)17-21)18-7-9-19(10-8-18)14(20)16-11-5-3-6-11/h11-12,21H,2-10H2,1H3,(H2,15,17)(H,16,20)
InChIKeyNWJPIUMTTRRINF-UHFFFAOYSA-N
XLogP0.78
TPSA94.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
CID 116658958
4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide
CID 77012597
2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 55222178
N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide
CID 77012839
4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
CID 116658138
2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 77046495
N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926462
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide
CID 77012746
4-(1-amino-1-hydroxyiminobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 104858959
2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide
CID 76924802
4-(1-aminopropan-2-yl)-N-cyclopropylpiperazine-1-carboxamide
CID 63338975

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide (CID 104892242) is 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide is CCCC(C(N)=NO)N1CCN(C(=O)NC2CCC2)CC1.
What is the InChIKey of 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide?
The InChIKey is NWJPIUMTTRRINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-2-4-12(13(15)17-21)18-7-9-19(10-8-18)14(20)16-11-5-3-6-11/h11-12,21H,2-10H2,1H3,(H2,15,17)(H,16,20).
What are the key properties of 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide?
4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide is sourced from PubChem (CID 104892242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).