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

C13H27N5O2 — CID 77012597

IUPAC4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(CCC)C(N)=NO)CC1
InChIInChI=1S/C13H27N5O2/c1-3-5-11(12(14)16-20)17-7-9-18(10-8-17)13(19)15-6-4-2/h11,20H,3-10H2,1-2H3,(H2,14,16)(H,15,19)
InChIKeyIMCVUPSQIDQLOC-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.64
Rot. Bonds6

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

4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide (PubChem CID 77012597) has the molecular formula C13H27N5O2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide
PubChem CID77012597
Molecular FormulaC13H27N5O2
Molecular Weight285.39 g/mol
Exact Mass285.22
IUPAC Name4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(CCC)C(N)=NO)CC1
InChIInChI=1S/C13H27N5O2/c1-3-5-11(12(14)16-20)17-7-9-18(10-8-17)13(19)15-6-4-2/h11,20H,3-10H2,1-2H3,(H2,14,16)(H,15,19)
InChIKeyIMCVUPSQIDQLOC-UHFFFAOYSA-N
XLogP0.64
TPSA94.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.64
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'}

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 55222178
4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
CID 104892242
N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide
CID 77012111
4-(1-amino-1-sulfanylidenebutan-2-yl)-N-propylpiperazine-1-carboxamide
CID 63344139
N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide
CID 77012839
4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide
CID 110750008
4-(1-amino-1-hydroxyiminobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 104858959
4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide
CID 77039009
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide
CID 77012746
2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 77046495
4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide
CID 63341503
2-[4-(2-ethylsulfanylethyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 104863512

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide (CID 77012597) is 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(CCC)C(N)=NO)CC1.
What is the InChIKey of 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide?
The InChIKey is IMCVUPSQIDQLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O2/c1-3-5-11(12(14)16-20)17-7-9-18(10-8-17)13(19)15-6-4-2/h11,20H,3-10H2,1-2H3,(H2,14,16)(H,15,19).
What are the key properties of 4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide?
4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 0.64, 6 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-propylpiperazine-1-carboxamide is sourced from PubChem (CID 77012597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).