4-acetyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2-carboxylic acid

C15H22N2O3 — CID 114604416

IUPAC4-acetyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)n(C(C)CN2CCCCC2)c1
InChIInChI=1S/C15H22N2O3/c1-11(9-16-6-4-3-5-7-16)17-10-13(12(2)18)8-14(17)15(19)20/h8,10-11H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyMUHQYSULQMESJZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.44
Rot. Bonds5

About 4-acetyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2-carboxylic acid

4-acetyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2-carboxylic acid (PubChem CID 114604416) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-acetyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-acetyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2-carboxylic acid
PubChem CID114604416
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-acetyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)n(C(C)CN2CCCCC2)c1
InChIInChI=1S/C15H22N2O3/c1-11(9-16-6-4-3-5-7-16)17-10-13(12(2)18)8-14(17)15(19)20/h8,10-11H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyMUHQYSULQMESJZ-UHFFFAOYSA-N
XLogP2.44
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-1-butan-2-ylpyrrole-2-carboxylic acid
CID 114603028
4-acetyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid
CID 114605284
4-acetyl-1-(2-methoxypropyl)pyrrole-2-carboxylic acid
CID 102700128
2-[4-methyl-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid
CID 81336462
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240
1-[4-[3-(azepan-1-yl)-2-methylpropoxy]phenyl]ethanone
CID 82037445
4-bromo-1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylic acid
CID 114605258
4-acetyl-1-(3-methylsulfinylpropyl)pyrrole-2-carboxylic acid
CID 114606792
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
3-(1-piperidin-1-ylpropan-2-yl)-1H-imidazol-2-one
CID 103125516
4-acetyl-1-(oxan-2-ylmethyl)pyrrole-2-carboxylic acid
CID 114604636
4-methyl-1-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106569194

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2-carboxylic acid?
The IUPAC name of 4-acetyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2-carboxylic acid (CID 114604416) is 4-acetyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-acetyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2-carboxylic acid?
The canonical SMILES for 4-acetyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2-carboxylic acid is CC(=O)c1cc(C(=O)O)n(C(C)CN2CCCCC2)c1.
What is the InChIKey of 4-acetyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2-carboxylic acid?
The InChIKey is MUHQYSULQMESJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(9-16-6-4-3-5-7-16)17-10-13(12(2)18)8-14(17)15(19)20/h8,10-11H,3-7,9H2,1-2H3,(H,19,20).
What are the key properties of 4-acetyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2-carboxylic acid?
4-acetyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 114604416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).