4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide

C17H24N4O3 — CID 121497817

IUPAC4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide
SMILESCN1CC(NC(=O)N2CCC(O)(c3cccnc3)CC2)CCC1=O
InChIInChI=1S/C17H24N4O3/c1-20-12-14(4-5-15(20)22)19-16(23)21-9-6-17(24,7-10-21)13-3-2-8-18-11-13/h2-3,8,11,14,24H,4-7,9-10,12H2,1H3,(H,19,23)
InChIKeyGLHUBMZWNOBQTC-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.70
Rot. Bonds2

About 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide

4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 121497817) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID121497817
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide
SMILESCN1CC(NC(=O)N2CCC(O)(c3cccnc3)CC2)CCC1=O
InChIInChI=1S/C17H24N4O3/c1-20-12-14(4-5-15(20)22)19-16(23)21-9-6-17(24,7-10-21)13-3-2-8-18-11-13/h2-3,8,11,14,24H,4-7,9-10,12H2,1H3,(H,19,23)
InChIKeyGLHUBMZWNOBQTC-UHFFFAOYSA-N
XLogP0.70
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide (CID 121497817) is 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide is CN1CC(NC(=O)N2CCC(O)(c3cccnc3)CC2)CCC1=O.
What is the InChIKey of 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is GLHUBMZWNOBQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-20-12-14(4-5-15(20)22)19-16(23)21-9-6-17(24,7-10-21)13-3-2-8-18-11-13/h2-3,8,11,14,24H,4-7,9-10,12H2,1H3,(H,19,23).
What are the key properties of 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide?
4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 121497817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).