3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid

C16H22N2O3 — CID 62217489

IUPAC3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2cccn2C2CC2)CC1
InChIInChI=1S/C16H22N2O3/c19-15(20)6-3-12-7-10-17(11-8-12)16(21)14-2-1-9-18(14)13-4-5-13/h1-2,9,12-13H,3-8,10-11H2,(H,19,20)
InChIKeyAPAJVMYSRHKLMM-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.54
Rot. Bonds5

About 3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid

3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid (PubChem CID 62217489) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
PubChem CID62217489
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2cccn2C2CC2)CC1
InChIInChI=1S/C16H22N2O3/c19-15(20)6-3-12-7-10-17(11-8-12)16(21)14-2-1-9-18(14)13-4-5-13/h1-2,9,12-13H,3-8,10-11H2,(H,19,20)
InChIKeyAPAJVMYSRHKLMM-UHFFFAOYSA-N
XLogP2.54
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689740
3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62216443
(1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 138004302
(1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97124412
1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 63125271
(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680510
3-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217819
(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610392
azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716935
3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62215797
3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62218166
3-[1-(2-bromo-4-chlorobenzoyl)piperidin-4-yl]propanoic acid
CID 107986609

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid (CID 62217489) is 3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)c2cccn2C2CC2)CC1.
What is the InChIKey of 3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid?
The InChIKey is APAJVMYSRHKLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(20)6-3-12-7-10-17(11-8-12)16(21)14-2-1-9-18(14)13-4-5-13/h1-2,9,12-13H,3-8,10-11H2,(H,19,20).
What are the key properties of 3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid?
3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62217489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).