(3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide

C17H26N4O4 — CID 125177723

IUPAC(3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)CN1C[C@H](C(=O)NCCc2c[nH]c(=O)n(C)c2=O)CCC1=O
InChIInChI=1S/C17H26N4O4/c1-11(2)9-21-10-13(4-5-14(21)22)15(23)18-7-6-12-8-19-17(25)20(3)16(12)24/h8,11,13H,4-7,9-10H2,1-3H3,(H,18,23)(H,19,25)/t13-/m1/s1
InChIKeyUZMOVDIEQOKNBS-CYBMUJFWSA-N
MW350.42 g/mol
LogP-0.37
Rot. Bonds6

About (3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide

(3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 125177723) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID125177723
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name(3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)CN1C[C@H](C(=O)NCCc2c[nH]c(=O)n(C)c2=O)CCC1=O
InChIInChI=1S/C17H26N4O4/c1-11(2)9-21-10-13(4-5-14(21)22)15(23)18-7-6-12-8-19-17(25)20(3)16(12)24/h8,11,13H,4-7,9-10H2,1-3H3,(H,18,23)(H,19,25)/t13-/m1/s1
InChIKeyUZMOVDIEQOKNBS-CYBMUJFWSA-N
XLogP-0.37
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide
CID 125175125
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 118782726
(3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide
CID 126450610
(3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97143169
(3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 137157339
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 131942080
1-(2-methylpropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113182044
(3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide
CID 42395118
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184900
(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94068245

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide (CID 125177723) is (3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide is CC(C)CN1C[C@H](C(=O)NCCc2c[nH]c(=O)n(C)c2=O)CCC1=O.
What is the InChIKey of (3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is UZMOVDIEQOKNBS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-11(2)9-21-10-13(4-5-14(21)22)15(23)18-7-6-12-8-19-17(25)20(3)16(12)24/h8,11,13H,4-7,9-10H2,1-3H3,(H,18,23)(H,19,25)/t13-/m1/s1.
What are the key properties of (3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
(3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 125177723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).