ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate

C14H20N2O3 — CID 81344401

IUPACethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2cccn2C)C1
InChIInChI=1S/C14H20N2O3/c1-3-19-14(18)11-6-4-9-16(10-11)13(17)12-7-5-8-15(12)2/h5,7-8,11H,3-4,6,9-10H2,1-2H3/t11-/m1/s1
InChIKeyZWQVKQLDPJHBQB-LLVKDONJSA-N
MW264.32 g/mol
LogP1.44
Rot. Bonds3

About ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate

ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate (PubChem CID 81344401) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
PubChem CID81344401
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2cccn2C)C1
InChIInChI=1S/C14H20N2O3/c1-3-19-14(18)11-6-4-9-16(10-11)13(17)12-7-5-8-15(12)2/h5,7-8,11H,3-4,6,9-10H2,1-2H3/t11-/m1/s1
InChIKeyZWQVKQLDPJHBQB-LLVKDONJSA-N
XLogP1.44
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 115535626
ethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate
CID 97240405
ethyl 1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 43664914
ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103511701
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546
ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 43409185
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
ethyl (3S)-1-(4-pyrrol-1-ylbenzoyl)piperidine-3-carboxylate
CID 51925940
ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
CID 39950024
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate (CID 81344401) is ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)c2cccn2C)C1.
What is the InChIKey of ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is ZWQVKQLDPJHBQB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-14(18)11-6-4-9-16(10-11)13(17)12-7-5-8-15(12)2/h5,7-8,11H,3-4,6,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate?
ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 81344401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).