N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide

C14H22N4O3 — CID 60962622

IUPACN-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCN(Cc1cn(C)c(=O)n(C)c1=O)C(=O)C1CCCCN1
InChIInChI=1S/C14H22N4O3/c1-16(13(20)11-6-4-5-7-15-11)8-10-9-17(2)14(21)18(3)12(10)19/h9,11,15H,4-8H2,1-3H3
InChIKeyXTMHTLZGRXYJDQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.82
Rot. Bonds3

About N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide

N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 60962622) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID60962622
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCN(Cc1cn(C)c(=O)n(C)c1=O)C(=O)C1CCCCN1
InChIInChI=1S/C14H22N4O3/c1-16(13(20)11-6-4-5-7-15-11)8-10-9-17(2)14(21)18(3)12(10)19/h9,11,15H,4-8H2,1-3H3
InChIKeyXTMHTLZGRXYJDQ-UHFFFAOYSA-N
XLogP-0.82
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide (CID 60962622) is N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide is CN(Cc1cn(C)c(=O)n(C)c1=O)C(=O)C1CCCCN1.
What is the InChIKey of N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is XTMHTLZGRXYJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-16(13(20)11-6-4-5-7-15-11)8-10-9-17(2)14(21)18(3)12(10)19/h9,11,15H,4-8H2,1-3H3.
What are the key properties of N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide?
N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of -0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 60962622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).