(3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide

C13H20N4O3 — CID 137065733

IUPAC(3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)N2CCC[C@H](O)C2)n1
InChIInChI=1S/C13H20N4O3/c1-9-7-12(19)16-11(15-9)4-5-14-13(20)17-6-2-3-10(18)8-17/h7,10,18H,2-6,8H2,1H3,(H,14,20)(H,15,16,19)/t10-/m0/s1
InChIKeyKMJFATZYTKFQER-JTQLQIEISA-N
MW280.33 g/mol
LogP-0.21
Rot. Bonds3

About (3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide

(3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide (PubChem CID 137065733) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide
PubChem CID137065733
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name(3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)N2CCC[C@H](O)C2)n1
InChIInChI=1S/C13H20N4O3/c1-9-7-12(19)16-11(15-9)4-5-14-13(20)17-6-2-3-10(18)8-17/h7,10,18H,2-6,8H2,1H3,(H,14,20)(H,15,16,19)/t10-/m0/s1
InChIKeyKMJFATZYTKFQER-JTQLQIEISA-N
XLogP-0.21
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide
CID 137065762
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide
CID 137025280
(3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 126433362
2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide
CID 137150789
methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 137148249
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 136607690
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 136703686
3-hydroxy-N-(2-hydroxyethyl)piperidine-1-carboxamide
CID 130943838
(1S,3S,8R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 136930406
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 135990316
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide
CID 136993210
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 136861496

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide (CID 137065733) is (3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide is Cc1cc(=O)[nH]c(CCNC(=O)N2CCC[C@H](O)C2)n1.
What is the InChIKey of (3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is KMJFATZYTKFQER-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9-7-12(19)16-11(15-9)4-5-14-13(20)17-6-2-3-10(18)8-17/h7,10,18H,2-6,8H2,1H3,(H,14,20)(H,15,16,19)/t10-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide?
(3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 137065733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).