N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide

C22H24N4O4 — CID 55688895

IUPACN-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2c(C)oc3ncn(C)c(=O)c23)CC1
InChIInChI=1S/C22H24N4O4/c1-13-6-4-5-7-16(13)19(27)24-15-8-10-26(11-9-15)22(29)17-14(2)30-20-18(17)21(28)25(3)12-23-20/h4-7,12,15H,8-11H2,1-3H3,(H,24,27)
InChIKeyIFWAPFPAYGLIJR-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.18
Rot. Bonds3

About N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide

N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide (PubChem CID 55688895) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
PubChem CID55688895
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2c(C)oc3ncn(C)c(=O)c23)CC1
InChIInChI=1S/C22H24N4O4/c1-13-6-4-5-7-16(13)19(27)24-15-8-10-26(11-9-15)22(29)17-14(2)30-20-18(17)21(28)25(3)12-23-20/h4-7,12,15H,8-11H2,1-3H3,(H,24,27)
InChIKeyIFWAPFPAYGLIJR-UHFFFAOYSA-N
XLogP2.18
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide with MolForge

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Related Compounds

5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
CID 53209286
6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119135835
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 39510641
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
N-[cyclohexyl(phenyl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55690015
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
CID 20925098
3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one
CID 55683104
N-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 126805706
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide
CID 136577969

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide (CID 55688895) is N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)c2c(C)oc3ncn(C)c(=O)c23)CC1.
What is the InChIKey of N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide?
The InChIKey is IFWAPFPAYGLIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-13-6-4-5-7-16(13)19(27)24-15-8-10-26(11-9-15)22(29)17-14(2)30-20-18(17)21(28)25(3)12-23-20/h4-7,12,15H,8-11H2,1-3H3,(H,24,27).
What are the key properties of N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide?
N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide has a molecular weight of 408.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 55688895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).