N-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

C19H26N4O4S — CID 46290279

IUPACN-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(N2CCCC(C(=O)NC3CCS(=O)(=O)C3)C2)c2c(C)c(C)oc2n1
InChIInChI=1S/C19H26N4O4S/c1-11-12(2)27-19-16(11)17(20-13(3)21-19)23-7-4-5-14(9-23)18(24)22-15-6-8-28(25,26)10-15/h14-15H,4-10H2,1-3H3,(H,22,24)
InChIKeyQXWWRAIURMICMI-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.67
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 46290279) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID46290279
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(N2CCCC(C(=O)NC3CCS(=O)(=O)C3)C2)c2c(C)c(C)oc2n1
InChIInChI=1S/C19H26N4O4S/c1-11-12(2)27-19-16(11)17(20-13(3)21-19)23-7-4-5-14(9-23)18(24)22-15-6-8-28(25,26)10-15/h14-15H,4-10H2,1-3H3,(H,22,24)
InChIKeyQXWWRAIURMICMI-UHFFFAOYSA-N
XLogP1.67
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-cyclopentyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866437
(3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866435
(3S)-N-(4-methylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866568
(3S)-N-(4-acetylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866404
(3R)-N-(4-acetylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866403
(3S)-N-cyclooctyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866194
(3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866538
(3R)-N-[(4-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866465
(3R)-N-[(3-methylphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866503
N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290253
N-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290266
(3S)-N-(pyridin-3-ylmethyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866408

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 46290279) is N-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is Cc1nc(N2CCCC(C(=O)NC3CCS(=O)(=O)C3)C2)c2c(C)c(C)oc2n1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is QXWWRAIURMICMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-11-12(2)27-19-16(11)17(20-13(3)21-19)23-7-4-5-14(9-23)18(24)22-15-6-8-28(25,26)10-15/h14-15H,4-10H2,1-3H3,(H,22,24).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46290279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).