ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate

C13H24N2O3 — CID 170985512

IUPACethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCN(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-4-18-13(17)11-5-9-15(10-6-11)12(16)7-8-14(2)3/h11H,4-10H2,1-3H3
InChIKeyZMMHKZMJDSUOND-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.74
Rot. Bonds5

About ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate

ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate (PubChem CID 170985512) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
PubChem CID170985512
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCN(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-4-18-13(17)11-5-9-15(10-6-11)12(16)7-8-14(2)3/h11H,4-10H2,1-3H3
InChIKeyZMMHKZMJDSUOND-UHFFFAOYSA-N
XLogP0.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-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 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate
CID 110838688
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245
ethyl 1-(4-chlorobutanoyl)piperidine-4-carboxylate
CID 60723356
ethyl 1-(5-bromopentanoyl)piperidine-4-carboxylate
CID 114014584
ethyl 1-[3-[butan-2-yl(3,3-dimethylbutanoyl)amino]propanoyl]piperidine-4-carboxylate
CID 42698996
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate
CID 3687812
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate (CID 170985512) is ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCN(C)C)CC1.
What is the InChIKey of ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate?
The InChIKey is ZMMHKZMJDSUOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-18-13(17)11-5-9-15(10-6-11)12(16)7-8-14(2)3/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 170985512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).