3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid

C16H24N2O3 — CID 81042260

IUPAC3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid
SMILESCCn1cccc1C(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C16H24N2O3/c1-3-17-8-5-7-14(17)16(21)18-9-4-6-13(11-18)12(2)10-15(19)20/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3,(H,19,20)
InChIKeyRKTQXLVPBHMGMR-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.47
Rot. Bonds5

About 3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid

3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid (PubChem CID 81042260) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid
PubChem CID81042260
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid
SMILESCCn1cccc1C(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C16H24N2O3/c1-3-17-8-5-7-14(17)16(21)18-9-4-6-13(11-18)12(2)10-15(19)20/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3,(H,19,20)
InChIKeyRKTQXLVPBHMGMR-UHFFFAOYSA-N
XLogP2.47
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-aminoethyl)pyrrolidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 103975815
1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 43638872
(1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63240558
3-[1-(2-methylbenzoyl)piperidin-3-yl]butanoic acid
CID 81043084
3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid
CID 81046489
2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 112627156
3-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81043427
3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid
CID 81046996
3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid
CID 81042767
(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43638941
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
[3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 62536550

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid (CID 81042260) is 3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid is CCn1cccc1C(=O)N1CCCC(C(C)CC(=O)O)C1.
What is the InChIKey of 3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid?
The InChIKey is RKTQXLVPBHMGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-17-8-5-7-14(17)16(21)18-9-4-6-13(11-18)12(2)10-15(19)20/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid?
3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81042260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).