N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide

C13H24N4O2 — CID 79162963

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)N(CCC(N)=NO)C2CC2)C1
InChIInChI=1S/C13H24N4O2/c1-10-3-2-7-16(9-10)13(18)17(11-4-5-11)8-6-12(14)15-19/h10-11,19H,2-9H2,1H3,(H2,14,15)
InChIKeyAZQHTTZPUQUMRB-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.44
Rot. Bonds4

About N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide (PubChem CID 79162963) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide
PubChem CID79162963
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)N(CCC(N)=NO)C2CC2)C1
InChIInChI=1S/C13H24N4O2/c1-10-3-2-7-16(9-10)13(18)17(11-4-5-11)8-6-12(14)15-19/h10-11,19H,2-9H2,1H3,(H2,14,15)
InChIKeyAZQHTTZPUQUMRB-UHFFFAOYSA-N
XLogP1.44
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.44
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)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide
CID 79163135
N-(3-aminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide
CID 79159316
N-cyclopentyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-carboxamide
CID 79159584
1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea
CID 76911724
N-cyclopropyl-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide
CID 116654963
N-(4-aminocyclohexyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79162664
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide
CID 76911754
N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide
CID 116655745
N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide
CID 83147861
(3R)-N'-hydroxy-3-methylpiperidine-1-carboximidamide
CID 166099569
1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea
CID 104892227
3-methylpiperidine-1-carboxamide
CID 16786142

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide (CID 79162963) is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)N(CCC(N)=NO)C2CC2)C1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide?
The InChIKey is AZQHTTZPUQUMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10-3-2-7-16(9-10)13(18)17(11-4-5-11)8-6-12(14)15-19/h10-11,19H,2-9H2,1H3,(H2,14,15).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.44, 4 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)-N-cyclopropyl-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79162963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).