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

C21H24N4O3 — CID 92866341

IUPAC(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)[C@@H]1CCCN(c2ncnc3oc(C)c(C)c23)C1
InChIInChI=1S/C21H24N4O3/c1-13-14(2)28-21-18(13)19(22-12-23-21)25-10-6-7-15(11-25)20(26)24-16-8-4-5-9-17(16)27-3/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3,(H,24,26)/t15-/m1/s1
InChIKeyBBWPGDDPROYBJO-OAHLLOKOSA-N
MW380.45 g/mol
LogP3.70
Rot. Bonds4

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

(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 92866341) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
PubChem CID92866341
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)[C@@H]1CCCN(c2ncnc3oc(C)c(C)c23)C1
InChIInChI=1S/C21H24N4O3/c1-13-14(2)28-21-18(13)19(22-12-23-21)25-10-6-7-15(11-25)20(26)24-16-8-4-5-9-17(16)27-3/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3,(H,24,26)/t15-/m1/s1
InChIKeyBBWPGDDPROYBJO-OAHLLOKOSA-N
XLogP3.70
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 92866163
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 92866258
N-(2-chloro-4-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290069
(3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866236
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 92866265
N-(2,4-dimethoxyphenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289909
(3S)-N-cyclooctyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866194
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 46290070
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92866358
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide (CID 92866341) is (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide is COc1ccccc1NC(=O)[C@@H]1CCCN(c2ncnc3oc(C)c(C)c23)C1.
What is the InChIKey of (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is BBWPGDDPROYBJO-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13-14(2)28-21-18(13)19(22-12-23-21)25-10-6-7-15(11-25)20(26)24-16-8-4-5-9-17(16)27-3/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3,(H,24,26)/t15-/m1/s1.
What are the key properties of (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide?
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92866341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).