ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate

C12H22N2O3 — CID 115280651

IUPACethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CCC(=O)NC
InChIInChI=1S/C12H22N2O3/c1-3-17-12(16)10-6-4-5-8-14(10)9-7-11(15)13-2/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyZMOWWNRSWYCFDQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds5

About ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate

ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate (PubChem CID 115280651) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate
PubChem CID115280651
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CCC(=O)NC
InChIInChI=1S/C12H22N2O3/c1-3-17-12(16)10-6-4-5-8-14(10)9-7-11(15)13-2/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyZMOWWNRSWYCFDQ-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-2-carboxylate
CID 62326636
methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115537915
ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate
CID 78994229
ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate
CID 78915222
ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate
CID 115281474
methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280659
ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate
CID 62028361
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate
CID 115538768
ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate
CID 115280563
ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 78968925
ethyl 1-but-2-ynylpiperidine-2-carboxylate
CID 79006426

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate (CID 115280651) is ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1CCC(=O)NC.
What is the InChIKey of ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate?
The InChIKey is ZMOWWNRSWYCFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-17-12(16)10-6-4-5-8-14(10)9-7-11(15)13-2/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate?
ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate is sourced from PubChem (CID 115280651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).