ethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxylate

C12H22N2O3 — CID 81337881

IUPACethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CC(=O)N(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-4-17-12(16)10-6-5-7-14(8-10)9-11(15)13(2)3/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyIVLJWDIQEOKFBN-JTQLQIEISA-N
MW242.32 g/mol
LogP0.35
Rot. Bonds4

About ethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxylate

ethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 81337881) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxylate
PubChem CID81337881
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CC(=O)N(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-4-17-12(16)10-6-5-7-14(8-10)9-11(15)13(2)3/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyIVLJWDIQEOKFBN-JTQLQIEISA-N
XLogP0.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-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-methylpiperidine-3-carboxylate
CID 97981
ethyl (3S)-1-methylpiperidine-3-carboxylate
CID 736035
Ethyl 1-pentanoyl-3-piperidinecarboxylate
CID 2957207
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
Ethyl 1-propanoylpiperidine-3-carboxylate
CID 2952241
Ethyl 1-cyclopropanecarbonylpiperidine-3-carboxylate
CID 43404451
Ethyl 1-(2-aminoacetyl)piperidine-3-carboxylate hydrochloride
CID 44631043
Ethyl 1-(2-(methylamino)acetyl)piperidine-3-carboxylate
CID 47003233
Ethyl 1-ethylpiperidine-3-carboxylate
CID 13905176
3-(Ethoxycarbonyl)-1,1-dimethylpiperidinium iodide
CID 86652334
N-ethyl-3-carbethoxy-2-piperidone
CID 91239412
1-[2-(Cyclopropylamino)-2-keto-ethyl]nipecotic acid ethyl ester;oxalic acid
CID 653880

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxylate (CID 81337881) is ethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(CC(=O)N(C)C)C1.
What is the InChIKey of ethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is IVLJWDIQEOKFBN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-17-12(16)10-6-5-7-14(8-10)9-11(15)13(2)3/h10H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of ethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxylate?
ethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 81337881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).