(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide

C24H30N4O4 — CID 92866358

IUPAC(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4oc(C)c(C)c34)C2)cc1OC
InChIInChI=1S/C24H30N4O4/c1-5-31-19-9-8-17(11-20(19)30-4)12-25-23(29)18-7-6-10-28(13-18)22-21-15(2)16(3)32-24(21)27-14-26-22/h8-9,11,14,18H,5-7,10,12-13H2,1-4H3,(H,25,29)/t18-/m0/s1
InChIKeyBJMNLZLUFBCLQU-SFHVURJKSA-N
MW438.53 g/mol
LogP3.78
Rot. Bonds7

About (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide

(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92866358) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID92866358
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4oc(C)c(C)c34)C2)cc1OC
InChIInChI=1S/C24H30N4O4/c1-5-31-19-9-8-17(11-20(19)30-4)12-25-23(29)18-7-6-10-28(13-18)22-21-15(2)16(3)32-24(21)27-14-26-22/h8-9,11,14,18H,5-7,10,12-13H2,1-4H3,(H,25,29)/t18-/m0/s1
InChIKeyBJMNLZLUFBCLQU-SFHVURJKSA-N
XLogP3.78
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866343
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92866288
(3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866185
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 46290089
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 92866359
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92866341
(3R)-N-[(4-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866465
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 46289986
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 92866258
(3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866603
(3S)-N-cyclooctyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866194
(3R)-N-[(3-methylphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866503

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 92866358) is (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide is CCOc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4oc(C)c(C)c34)C2)cc1OC.
What is the InChIKey of (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is BJMNLZLUFBCLQU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-5-31-19-9-8-17(11-20(19)30-4)12-25-23(29)18-7-6-10-28(13-18)22-21-15(2)16(3)32-24(21)27-14-26-22/h8-9,11,14,18H,5-7,10,12-13H2,1-4H3,(H,25,29)/t18-/m0/s1.
What are the key properties of (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide?
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92866358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).