(3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide

C14H22N4O6S — CID 39034326

IUPAC(3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C14H22N4O6S/c1-9-11(13(20)17-14(21)16-9)25(22,23)18-6-3-4-10(8-18)12(19)15-5-7-24-2/h10H,3-8H2,1-2H3,(H,15,19)(H2,16,17,20,21)/t10-/m1/s1
InChIKeyORNBLWYKECMIBX-SNVBAGLBSA-N
MW374.42 g/mol
LogP-1.47
Rot. Bonds6

About (3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide

(3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 39034326) has the molecular formula C14H22N4O6S and a molecular weight of 374.42 g/mol. Its IUPAC name is (3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID39034326
Molecular FormulaC14H22N4O6S
Molecular Weight374.42 g/mol
Exact Mass374.13
IUPAC Name(3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C14H22N4O6S/c1-9-11(13(20)17-14(21)16-9)25(22,23)18-6-3-4-10(8-18)12(19)15-5-7-24-2/h10H,3-8H2,1-2H3,(H,15,19)(H2,16,17,20,21)/t10-/m1/s1
InChIKeyORNBLWYKECMIBX-SNVBAGLBSA-N
XLogP-1.47
TPSA141.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 3245157
(3S)-N-[2-(2-methoxyphenyl)ethyl]-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 39035939
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 42653754
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid
CID 4290756
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
(3R)-N-(4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 40774571
N-[(3-chlorophenyl)methyl]-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 42655209
N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 42654998
(3S)-N-(3,5-dichlorophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 39035664
(3R)-1-(dimethylsulfamoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 28955789
(3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 39033321
(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide (CID 39034326) is (3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide is COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of (3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is ORNBLWYKECMIBX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N4O6S/c1-9-11(13(20)17-14(21)16-9)25(22,23)18-6-3-4-10(8-18)12(19)15-5-7-24-2/h10H,3-8H2,1-2H3,(H,15,19)(H2,16,17,20,21)/t10-/m1/s1.
What are the key properties of (3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide?
(3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of -1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 39034326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).