(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide

C18H24N4O4 — CID 95086085

IUPAC(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCCN(c3cc(=O)n(C)c(=O)n3C)C2)o1
InChIInChI=1S/C18H24N4O4/c1-12-6-7-14(26-12)10-19-17(24)13-5-4-8-22(11-13)15-9-16(23)21(3)18(25)20(15)2/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,19,24)/t13-/m0/s1
InChIKeyVAWZMXATUCWYTO-ZDUSSCGKSA-N
MW360.41 g/mol
LogP0.52
Rot. Bonds4

About (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide

(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 95086085) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
PubChem CID95086085
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCCN(c3cc(=O)n(C)c(=O)n3C)C2)o1
InChIInChI=1S/C18H24N4O4/c1-12-6-7-14(26-12)10-19-17(24)13-5-4-8-22(11-13)15-9-16(23)21(3)18(25)20(15)2/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,19,24)/t13-/m0/s1
InChIKeyVAWZMXATUCWYTO-ZDUSSCGKSA-N
XLogP0.52
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086121
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95086065
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 93062627
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 53199213
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide
CID 53107443
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 53010395
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 46381273
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide
CID 93061288
(3S)-N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086004
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 53107366
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
(3R)-1-(1H-benzimidazol-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 92876734

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide (CID 95086085) is (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide is Cc1ccc(CNC(=O)[C@H]2CCCN(c3cc(=O)n(C)c(=O)n3C)C2)o1.
What is the InChIKey of (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is VAWZMXATUCWYTO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-12-6-7-14(26-12)10-19-17(24)13-5-4-8-22(11-13)15-9-16(23)21(3)18(25)20(15)2/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,19,24)/t13-/m0/s1.
What are the key properties of (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide?
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95086085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).