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

C12H22N2O3 — CID 115280659

IUPACmethyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate
SMILESCCNC(=O)CCN1CCCCC1C(=O)OC
InChIInChI=1S/C12H22N2O3/c1-3-13-11(15)7-9-14-8-5-4-6-10(14)12(16)17-2/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyNGAACAHDJXCVDM-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds5

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

methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate (PubChem CID 115280659) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate
PubChem CID115280659
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate
SMILESCCNC(=O)CCN1CCCCC1C(=O)OC
InChIInChI=1S/C12H22N2O3/c1-3-13-11(15)7-9-14-8-5-4-6-10(14)12(16)17-2/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyNGAACAHDJXCVDM-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-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115537915
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
N-ethyl-3-(2-formylpiperidin-1-yl)propanamide
CID 62654057
ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280651
N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111107076
N-ethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79539534
methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115536916
methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
CID 79833648
methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
CID 103737090
methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate (CID 115280659) is methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate is CCNC(=O)CCN1CCCCC1C(=O)OC.
What is the InChIKey of methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate?
The InChIKey is NGAACAHDJXCVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-13-11(15)7-9-14-8-5-4-6-10(14)12(16)17-2/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate?
methyl 1-[3-(ethylamino)-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 methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate is sourced from PubChem (CID 115280659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).