1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid

C18H20N2O3 — CID 119166422

IUPAC1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid
SMILESCn1c(C(=O)N2CCC(C(=O)O)CC2)ccc1-c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-19-15(13-5-3-2-4-6-13)7-8-16(19)17(21)20-11-9-14(10-12-20)18(22)23/h2-8,14H,9-12H2,1H3,(H,22,23)
InChIKeyRVEDZPANNQJJKE-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.63
Rot. Bonds3

About 1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid

1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 119166422) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID119166422
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid
SMILESCn1c(C(=O)N2CCC(C(=O)O)CC2)ccc1-c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-19-15(13-5-3-2-4-6-13)7-8-16(19)17(21)20-11-9-14(10-12-20)18(22)23/h2-8,14H,9-12H2,1H3,(H,22,23)
InChIKeyRVEDZPANNQJJKE-UHFFFAOYSA-N
XLogP2.63
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid (CID 119166422) is 1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid is Cn1c(C(=O)N2CCC(C(=O)O)CC2)ccc1-c1ccccc1.
What is the InChIKey of 1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is RVEDZPANNQJJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-19-15(13-5-3-2-4-6-13)7-8-16(19)17(21)20-11-9-14(10-12-20)18(22)23/h2-8,14H,9-12H2,1H3,(H,22,23).
What are the key properties of 1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid?
1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119166422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).