ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate

C13H21NO3 — CID 43424044

IUPACethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CC2CC2)C1
InChIInChI=1S/C13H21NO3/c1-2-17-13(16)11-4-3-7-14(9-11)12(15)8-10-5-6-10/h10-11H,2-9H2,1H3
InChIKeyPRYFNBSHXLILSG-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.59
Rot. Bonds4

About ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate

ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate (PubChem CID 43424044) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
PubChem CID43424044
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CC2CC2)C1
InChIInChI=1S/C13H21NO3/c1-2-17-13(16)11-4-3-7-14(9-11)12(15)8-10-5-6-10/h10-11H,2-9H2,1H3
InChIKeyPRYFNBSHXLILSG-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-but-3-enoylpiperidine-3-carboxylate
CID 115538775
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
CID 78919382
ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate
CID 61340322
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
CID 103783648
2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 60662012
ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate
CID 110678236
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate
CID 78914745

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate (CID 43424044) is ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CC2CC2)C1.
What is the InChIKey of ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate?
The InChIKey is PRYFNBSHXLILSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-17-13(16)11-4-3-7-14(9-11)12(15)8-10-5-6-10/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate?
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate is sourced from PubChem (CID 43424044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).