N-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide

C8H15N3O2 — CID 123167269

IUPACN-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide
SMILESCC(N)=NC(=O)N1CCC(O)CC1
InChIInChI=1S/C8H15N3O2/c1-6(9)10-8(13)11-4-2-7(12)3-5-11/h7,12H,2-5H2,1H3,(H2,9,10,13)
InChIKeyLLBSNYGRIDFREC-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.06
Rot. Bonds

About N-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide

N-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide (PubChem CID 123167269) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide
PubChem CID123167269
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide
SMILESCC(N)=NC(=O)N1CCC(O)CC1
InChIInChI=1S/C8H15N3O2/c1-6(9)10-8(13)11-4-2-7(12)3-5-11/h7,12H,2-5H2,1H3,(H2,9,10,13)
InChIKeyLLBSNYGRIDFREC-UHFFFAOYSA-N
XLogP-0.06
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide
CID 89848427
N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide
CID 123906619
(NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 145380334

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide (CID 123167269) is N-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide is CC(N)=NC(=O)N1CCC(O)CC1.
What is the InChIKey of N-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide?
The InChIKey is LLBSNYGRIDFREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-6(9)10-8(13)11-4-2-7(12)3-5-11/h7,12H,2-5H2,1H3,(H2,9,10,13).
What are the key properties of N-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide?
N-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide has a molecular weight of 185.23 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 123167269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).