ethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate

C15H20N2O4 — CID 43409726

IUPACethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(C(C)=O)c[nH]2)C1
InChIInChI=1S/C15H20N2O4/c1-3-21-15(20)11-5-4-6-17(9-11)14(19)13-7-12(8-16-13)10(2)18/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeyOREAHPHONSFREL-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.63
Rot. Bonds4

About ethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate

ethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate (PubChem CID 43409726) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is ethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate
PubChem CID43409726
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Nameethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(C(C)=O)c[nH]2)C1
InChIInChI=1S/C15H20N2O4/c1-3-21-15(20)11-5-4-6-17(9-11)14(19)13-7-12(8-16-13)10(2)18/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeyOREAHPHONSFREL-UHFFFAOYSA-N
XLogP1.63
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate
CID 22552057
1-[5-[(3R)-3-ethylsulfanylazepane-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 95622903
ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate
CID 43404461
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160
ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 115535610
ethyl (3R)-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-3-carboxylate
CID 115538799
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl (3R)-1-(4-acetyloxybenzoyl)piperidine-3-carboxylate
CID 670738
ethyl (3R)-1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 51939226
ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 7578621
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate (CID 43409726) is ethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc(C(C)=O)c[nH]2)C1.
What is the InChIKey of ethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is OREAHPHONSFREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-21-15(20)11-5-4-6-17(9-11)14(19)13-7-12(8-16-13)10(2)18/h7-8,11,16H,3-6,9H2,1-2H3.
What are the key properties of ethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate?
ethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 43409726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).