N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

C15H24N4O4 — CID 74241302

IUPACN-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(=O)NCCN2CCCC(CO)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H24N4O4/c1-17-12(8-13(21)18(2)15(17)23)14(22)16-5-7-19-6-3-4-11(9-19)10-20/h8,11,20H,3-7,9-10H2,1-2H3,(H,16,22)
InChIKeyWTEQRJZIXBUAQH-UHFFFAOYSA-N
MW324.38 g/mol
LogP-1.48
Rot. Bonds5

About N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 74241302) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
PubChem CID74241302
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC NameN-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(=O)NCCN2CCCC(CO)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H24N4O4/c1-17-12(8-13(21)18(2)15(17)23)14(22)16-5-7-19-6-3-4-11(9-19)10-20/h8,11,20H,3-7,9-10H2,1-2H3,(H,16,22)
InChIKeyWTEQRJZIXBUAQH-UHFFFAOYSA-N
XLogP-1.48
TPSA96.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide
CID 125161884
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxopyran-2-carboxamide
CID 118791684
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 126428240
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239780
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 125155025
1-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-6-oxopyridine-2-carboxamide
CID 97244814
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-benzothiophene-5-carboxamide
CID 70709796
6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 74232291
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
CID 124754325
1-(cyclohexylmethyl)-3-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 164638769
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide
CID 56754635
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 97454271

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (CID 74241302) is N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is Cn1c(C(=O)NCCN2CCCC(CO)C2)cc(=O)n(C)c1=O.
What is the InChIKey of N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is WTEQRJZIXBUAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-17-12(8-13(21)18(2)15(17)23)14(22)16-5-7-19-6-3-4-11(9-19)10-20/h8,11,20H,3-7,9-10H2,1-2H3,(H,16,22).
What are the key properties of N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of -1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 74241302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).