1-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]piperidine-4-carboxamide

C15H27N3O4 — CID 56705731

IUPAC1-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]piperidine-4-carboxamide
SMILESCOCCN1CCCC(O)(CN2CCC(C(N)=O)CC2)C1=O
InChIInChI=1S/C15H27N3O4/c1-22-10-9-18-6-2-5-15(21,14(18)20)11-17-7-3-12(4-8-17)13(16)19/h12,21H,2-11H2,1H3,(H2,16,19)
InChIKeyZRVMQRCPJQZNJY-UHFFFAOYSA-N
MW313.40 g/mol
LogP-0.82
Rot. Bonds6

About 1-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]piperidine-4-carboxamide

1-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 56705731) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]piperidine-4-carboxamide
PubChem CID56705731
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Name1-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]piperidine-4-carboxamide
SMILESCOCCN1CCCC(O)(CN2CCC(C(N)=O)CC2)C1=O
InChIInChI=1S/C15H27N3O4/c1-22-10-9-18-6-2-5-15(21,14(18)20)11-17-7-3-12(4-8-17)13(16)19/h12,21H,2-11H2,1H3,(H2,16,19)
InChIKeyZRVMQRCPJQZNJY-UHFFFAOYSA-N
XLogP-0.82
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]piperidine-4-carboxamide (CID 56705731) is 1-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]piperidine-4-carboxamide is COCCN1CCCC(O)(CN2CCC(C(N)=O)CC2)C1=O.
What is the InChIKey of 1-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is ZRVMQRCPJQZNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-22-10-9-18-6-2-5-15(21,14(18)20)11-17-7-3-12(4-8-17)13(16)19/h12,21H,2-11H2,1H3,(H2,16,19).
What are the key properties of 1-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]piperidine-4-carboxamide?
1-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of -0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56705731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).