ethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate

C12H19N3O2 — CID 177238268

IUPACethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C2CCNCC2)ccn1N
InChIInChI=1S/C12H19N3O2/c1-2-17-12(16)11-10(5-8-15(11)13)9-3-6-14-7-4-9/h5,8-9,14H,2-4,6-7,13H2,1H3
InChIKeyZVNSRPPAPYGJBU-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.85
Rot. Bonds3

About ethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate

ethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate (PubChem CID 177238268) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate
PubChem CID177238268
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C2CCNCC2)ccn1N
InChIInChI=1S/C12H19N3O2/c1-2-17-12(16)11-10(5-8-15(11)13)9-3-6-14-7-4-9/h5,8-9,14H,2-4,6-7,13H2,1H3
InChIKeyZVNSRPPAPYGJBU-UHFFFAOYSA-N
XLogP0.85
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-pyrrolidin-3-ylbenzoate
CID 116988515
ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate
CID 117407560
acetaldehyde;ethyl 4-methyl-3-pyrrolidin-3-ylbenzoate
CID 170733767
ethyl formate;ethyl 3-nitro-4-piperidin-4-ylbenzoate
CID 174685959
ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate
CID 22566555
ethyl 4-(difluoromethyl)-3-pyrrolidin-3-ylbenzoate
CID 170733764
ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate
CID 57229796
ethyl 2-cyclopropylbenzoate
CID 118105330
ethyl 4-[(3S)-piperidin-3-yl]benzoate
CID 176561746
ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate
CID 119302054
ethyl 3-chloro-5-pyrrolidin-3-ylbenzoate
CID 69176656
ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
CID 140688887

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate?
The IUPAC name of ethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate (CID 177238268) is ethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate is CCOC(=O)c1c(C2CCNCC2)ccn1N.
What is the InChIKey of ethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate?
The InChIKey is ZVNSRPPAPYGJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-17-12(16)11-10(5-8-15(11)13)9-3-6-14-7-4-9/h5,8-9,14H,2-4,6-7,13H2,1H3.
What are the key properties of ethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate?
ethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate is sourced from PubChem (CID 177238268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).