2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C19H29N3O4 — CID 93070104

IUPAC2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCOc1cn(CC(=O)NC[C@H]2CCCO2)c(CN2CCCCC2)cc1=O
InChIInChI=1S/C19H29N3O4/c1-25-18-13-22(14-19(24)20-11-16-6-5-9-26-16)15(10-17(18)23)12-21-7-3-2-4-8-21/h10,13,16H,2-9,11-12,14H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyWSKPABPSZGLALE-MRXNPFEDSA-N
MW363.46 g/mol
LogP1.14
Rot. Bonds7

About 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 93070104) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID93070104
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCOc1cn(CC(=O)NC[C@H]2CCCO2)c(CN2CCCCC2)cc1=O
InChIInChI=1S/C19H29N3O4/c1-25-18-13-22(14-19(24)20-11-16-6-5-9-26-16)15(10-17(18)23)12-21-7-3-2-4-8-21/h10,13,16H,2-9,11-12,14H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyWSKPABPSZGLALE-MRXNPFEDSA-N
XLogP1.14
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 93070104) is 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is COc1cn(CC(=O)NC[C@H]2CCCO2)c(CN2CCCCC2)cc1=O.
What is the InChIKey of 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is WSKPABPSZGLALE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-25-18-13-22(14-19(24)20-11-16-6-5-9-26-16)15(10-17(18)23)12-21-7-3-2-4-8-21/h10,13,16H,2-9,11-12,14H2,1H3,(H,20,24)/t16-/m1/s1.
What are the key properties of 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 93070104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).