N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide

C14H28N4O2 — CID 79163135

IUPACN-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)N1CCCC(C)C1
InChIInChI=1S/C14H28N4O2/c1-11(2)9-18(8-6-13(15)16-20)14(19)17-7-4-5-12(3)10-17/h11-12,20H,4-10H2,1-3H3,(H2,15,16)
InChIKeyTYTRVFVLLKJJAT-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.93
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 79163135) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID79163135
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)N1CCCC(C)C1
InChIInChI=1S/C14H28N4O2/c1-11(2)9-18(8-6-13(15)16-20)14(19)17-7-4-5-12(3)10-17/h11-12,20H,4-10H2,1-3H3,(H2,15,16)
InChIKeyTYTRVFVLLKJJAT-UHFFFAOYSA-N
XLogP1.93
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide
CID 79162963
N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107182758
N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide
CID 116655745
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 76917116
N-cyclopropyl-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide
CID 116654963
N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide
CID 81327965
N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide
CID 77015683
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79159462
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide
CID 55132762
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)azepane-1-carboxamide
CID 79151836
N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide
CID 77023051
N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 79162286

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide (CID 79163135) is N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide is CC(C)CN(CCC(N)=NO)C(=O)N1CCCC(C)C1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is TYTRVFVLLKJJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-11(2)9-18(8-6-13(15)16-20)14(19)17-7-4-5-12(3)10-17/h11-12,20H,4-10H2,1-3H3,(H2,15,16).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 79163135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).