1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid

C18H24N2O4 — CID 170512055

IUPAC1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(C2CCN(C(=O)C3CCCC3)CC2)c(=O)c1C(=O)O
InChIInChI=1S/C18H24N2O4/c1-12-6-11-20(17(22)15(12)18(23)24)14-7-9-19(10-8-14)16(21)13-4-2-3-5-13/h6,11,13-14H,2-5,7-10H2,1H3,(H,23,24)
InChIKeyFIDPPCVRYJGWNR-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.21
Rot. Bonds3

About 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid

1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 170512055) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID170512055
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(C2CCN(C(=O)C3CCCC3)CC2)c(=O)c1C(=O)O
InChIInChI=1S/C18H24N2O4/c1-12-6-11-20(17(22)15(12)18(23)24)14-7-9-19(10-8-14)16(21)13-4-2-3-5-13/h6,11,13-14H,2-5,7-10H2,1H3,(H,23,24)
InChIKeyFIDPPCVRYJGWNR-UHFFFAOYSA-N
XLogP2.21
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid (CID 170512055) is 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccn(C2CCN(C(=O)C3CCCC3)CC2)c(=O)c1C(=O)O.
What is the InChIKey of 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is FIDPPCVRYJGWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12-6-11-20(17(22)15(12)18(23)24)14-7-9-19(10-8-14)16(21)13-4-2-3-5-13/h6,11,13-14H,2-5,7-10H2,1H3,(H,23,24).
What are the key properties of 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid?
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170512055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).