propanoyl piperidine-1-carboxylate

C9H15NO3 — CID 142786690

IUPACpropanoyl piperidine-1-carboxylate
SMILESCCC(=O)OC(=O)N1CCCCC1
InChIInChI=1S/C9H15NO3/c1-2-8(11)13-9(12)10-6-4-3-5-7-10/h2-7H2,1H3
InChIKeyAOKBGIKVXQJRCB-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.55
Rot. Bonds1

About propanoyl piperidine-1-carboxylate

propanoyl piperidine-1-carboxylate (PubChem CID 142786690) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is propanoyl piperidine-1-carboxylate.

Molecular Properties

Compound Namepropanoyl piperidine-1-carboxylate
PubChem CID142786690
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namepropanoyl piperidine-1-carboxylate
SMILESCCC(=O)OC(=O)N1CCCCC1
InChIInChI=1S/C9H15NO3/c1-2-8(11)13-9(12)10-6-4-3-5-7-10/h2-7H2,1H3
InChIKeyAOKBGIKVXQJRCB-UHFFFAOYSA-N
XLogP1.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze propanoyl piperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl azacycloundecane-1-carboxylate
CID 67670496
carboxy piperidine-1-carboxylate
CID 154126035
(2-oxo-2-piperidin-1-ylethyl) propanoate
CID 57259337
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
propyl azepane-1-carboxylate
CID 91585333
1-(azepan-1-yl)propan-1-one
CID 3613534
ethyl azetidine-1-carboxylate
CID 14088501
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
propyl piperidine-1-carboperoxoate
CID 140533006
piperidine-1-carboperoxoic acid
CID 18434275
CID 123683302
CID 123683302
3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate
CID 118272075

Frequently Asked Questions

What is the IUPAC name of propanoyl piperidine-1-carboxylate?
The IUPAC name of propanoyl piperidine-1-carboxylate (CID 142786690) is propanoyl piperidine-1-carboxylate.
What is the SMILES notation for propanoyl piperidine-1-carboxylate?
The canonical SMILES for propanoyl piperidine-1-carboxylate is CCC(=O)OC(=O)N1CCCCC1.
What is the InChIKey of propanoyl piperidine-1-carboxylate?
The InChIKey is AOKBGIKVXQJRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-8(11)13-9(12)10-6-4-3-5-7-10/h2-7H2,1H3.
What are the key properties of propanoyl piperidine-1-carboxylate?
propanoyl piperidine-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propanoyl piperidine-1-carboxylate is sourced from PubChem (CID 142786690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).