1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid

C16H24N2O3 — CID 63125677

IUPAC1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2cccn2CC)CC1
InChIInChI=1S/C16H24N2O3/c1-3-7-16(15(20)21)8-11-18(12-9-16)14(19)13-6-5-10-17(13)4-2/h5-6,10H,3-4,7-9,11-12H2,1-2H3,(H,20,21)
InChIKeyIWKATMKEIFUASS-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.62
Rot. Bonds5

About 1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid

1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63125677) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63125677
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2cccn2CC)CC1
InChIInChI=1S/C16H24N2O3/c1-3-7-16(15(20)21)8-11-18(12-9-16)14(19)13-6-5-10-17(13)4-2/h5-6,10H,3-4,7-9,11-12H2,1-2H3,(H,20,21)
InChIKeyIWKATMKEIFUASS-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid (CID 63125677) is 1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)c2cccn2CC)CC1.
What is the InChIKey of 1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is IWKATMKEIFUASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-7-16(15(20)21)8-11-18(12-9-16)14(19)13-6-5-10-17(13)4-2/h5-6,10H,3-4,7-9,11-12H2,1-2H3,(H,20,21).
What are the key properties of 1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid?
1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).