methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate

C12H22N2O3 — CID 78921832

IUPACmethyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
SMILESCCNC(=O)C(C)N1CCCC(C(=O)OC)C1
InChIInChI=1S/C12H22N2O3/c1-4-13-11(15)9(2)14-7-5-6-10(8-14)12(16)17-3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyGKCLQSKGYKEPFO-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.40
Rot. Bonds4

About methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate

methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate (PubChem CID 78921832) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
PubChem CID78921832
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
SMILESCCNC(=O)C(C)N1CCCC(C(=O)OC)C1
InChIInChI=1S/C12H22N2O3/c1-4-13-11(15)9(2)14-7-5-6-10(8-14)12(16)17-3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyGKCLQSKGYKEPFO-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]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

methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920649
methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485
methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 79037827
methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate
CID 79038248
methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920382
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylpropanamide
CID 102977439
methyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920334
ethyl (3R)-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338323
ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 60676295
ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81360759
methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
CID 112730779
N-ethyl-2-(3-methylpyrrolidin-1-yl)propanamide
CID 130606422

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate (CID 78921832) is methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate is CCNC(=O)C(C)N1CCCC(C(=O)OC)C1.
What is the InChIKey of methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
The InChIKey is GKCLQSKGYKEPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-13-11(15)9(2)14-7-5-6-10(8-14)12(16)17-3/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate is sourced from PubChem (CID 78921832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).