N-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide

C11H21N3O2 — CID 123684516

IUPACN-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(C)C(N)=NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H21N3O2/c1-8(2)10(12)13-11(16)14-5-3-4-9(6-14)7-15/h8-9,15H,3-7H2,1-2H3,(H2,12,13,16)
InChIKeyHCGGNQIENNFKRA-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.82
Rot. Bonds2

About N-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide

N-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 123684516) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID123684516
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(C)C(N)=NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H21N3O2/c1-8(2)10(12)13-11(16)14-5-3-4-9(6-14)7-15/h8-9,15H,3-7H2,1-2H3,(H2,12,13,16)
InChIKeyHCGGNQIENNFKRA-UHFFFAOYSA-N
XLogP0.82
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.82
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
N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide
CID 143776658
(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)-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide (CID 123684516) is N-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide is CC(C)C(N)=NC(=O)N1CCCC(CO)C1.
What is the InChIKey of N-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is HCGGNQIENNFKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)10(12)13-11(16)14-5-3-4-9(6-14)7-15/h8-9,15H,3-7H2,1-2H3,(H2,12,13,16).
What are the key properties of N-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide?
N-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.82, 2 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)-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 123684516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).