1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid

C16H24N2O3 — CID 65072032

IUPAC1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid
SMILESCC1CC(N2CCC(n3cccc3C(=O)O)CC2)CCO1
InChIInChI=1S/C16H24N2O3/c1-12-11-14(6-10-21-12)17-8-4-13(5-9-17)18-7-2-3-15(18)16(19)20/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,19,20)
InChIKeyDXVYIDPWABAPBD-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.39
Rot. Bonds3

About 1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid

1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid (PubChem CID 65072032) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid
PubChem CID65072032
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid
SMILESCC1CC(N2CCC(n3cccc3C(=O)O)CC2)CCO1
InChIInChI=1S/C16H24N2O3/c1-12-11-14(6-10-21-12)17-8-4-13(5-9-17)18-7-2-3-15(18)16(19)20/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,19,20)
InChIKeyDXVYIDPWABAPBD-UHFFFAOYSA-N
XLogP2.39
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid (CID 65072032) is 1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid is CC1CC(N2CCC(n3cccc3C(=O)O)CC2)CCO1.
What is the InChIKey of 1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The InChIKey is DXVYIDPWABAPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-11-14(6-10-21-12)17-8-4-13(5-9-17)18-7-2-3-15(18)16(19)20/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,19,20).
What are the key properties of 1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid?
1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 65072032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).