N-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide

C9H18N2O2 — CID 69463277

IUPACN-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCN(CO)C(=O)N1CCCCC1
InChIInChI=1S/C9H18N2O2/c1-2-10(8-12)9(13)11-6-4-3-5-7-11/h12H,2-8H2,1H3
InChIKeyNPEIZTFGRBPEKH-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.86
Rot. Bonds2

About N-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide

N-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 69463277) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID69463277
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCN(CO)C(=O)N1CCCCC1
InChIInChI=1S/C9H18N2O2/c1-2-10(8-12)9(13)11-6-4-3-5-7-11/h12H,2-8H2,1H3
InChIKeyNPEIZTFGRBPEKH-UHFFFAOYSA-N
XLogP0.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide (CID 69463277) is N-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide is CCN(CO)C(=O)N1CCCCC1.
What is the InChIKey of N-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is NPEIZTFGRBPEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-10(8-12)9(13)11-6-4-3-5-7-11/h12H,2-8H2,1H3.
What are the key properties of N-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide?
N-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 69463277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).