N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide

C10H19N3O2 — CID 123906619

IUPACN-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide
SMILESCC(C)C(N)=NC(=O)N1CCC(O)CC1
InChIInChI=1S/C10H19N3O2/c1-7(2)9(11)12-10(15)13-5-3-8(14)4-6-13/h7-8,14H,3-6H2,1-2H3,(H2,11,12,15)
InChIKeyJGMPMCWWOVRVQU-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.58
Rot. Bonds1

About N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide

N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide (PubChem CID 123906619) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide
PubChem CID123906619
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide
SMILESCC(C)C(N)=NC(=O)N1CCC(O)CC1
InChIInChI=1S/C10H19N3O2/c1-7(2)9(11)12-10(15)13-5-3-8(14)4-6-13/h7-8,14H,3-6H2,1-2H3,(H2,11,12,15)
InChIKeyJGMPMCWWOVRVQU-UHFFFAOYSA-N
XLogP0.58
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.58
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-aminoethylidene)-4-hydroxypiperidine-1-carboxamide
CID 123167269
N-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 123684516
(NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 145380334
4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboxamide
CID 148051851
(NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 144954315

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide (CID 123906619) is N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide is CC(C)C(N)=NC(=O)N1CCC(O)CC1.
What is the InChIKey of N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide?
The InChIKey is JGMPMCWWOVRVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(2)9(11)12-10(15)13-5-3-8(14)4-6-13/h7-8,14H,3-6H2,1-2H3,(H2,11,12,15).
What are the key properties of N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide?
N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 123906619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).