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

C21H28N4O3 — CID 137065762

IUPAC(3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)N2CCC[C@@H](COc3ccccc3C)C2)n1
InChIInChI=1S/C21H28N4O3/c1-15-6-3-4-8-18(15)28-14-17-7-5-11-25(13-17)21(27)22-10-9-19-23-16(2)12-20(26)24-19/h3-4,6,8,12,17H,5,7,9-11,13-14H2,1-2H3,(H,22,27)(H,23,24,26)/t17-/m1/s1
InChIKeyUOZPINCWABWMGK-QGZVFWFLSA-N
MW384.48 g/mol
LogP2.43
Rot. Bonds6

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

(3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide (PubChem CID 137065762) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is (3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide
PubChem CID137065762
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name(3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)N2CCC[C@@H](COc3ccccc3C)C2)n1
InChIInChI=1S/C21H28N4O3/c1-15-6-3-4-8-18(15)28-14-17-7-5-11-25(13-17)21(27)22-10-9-19-23-16(2)12-20(26)24-19/h3-4,6,8,12,17H,5,7,9-11,13-14H2,1-2H3,(H,22,27)(H,23,24,26)/t17-/m1/s1
InChIKeyUOZPINCWABWMGK-QGZVFWFLSA-N
XLogP2.43
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide
CID 137065733
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide
CID 137025280
2-chloro-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]ethanone
CID 162679482
3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46991912
2,2-dimethyl-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 110638458
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]ethanone
CID 119071108
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 124809448
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 136703686
2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide
CID 137150789
[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 51586958
[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methanone
CID 46972140
[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methanone
CID 51586936

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide (CID 137065762) is (3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide is Cc1cc(=O)[nH]c(CCNC(=O)N2CCC[C@@H](COc3ccccc3C)C2)n1.
What is the InChIKey of (3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide?
The InChIKey is UOZPINCWABWMGK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15-6-3-4-8-18(15)28-14-17-7-5-11-25(13-17)21(27)22-10-9-19-23-16(2)12-20(26)24-19/h3-4,6,8,12,17H,5,7,9-11,13-14H2,1-2H3,(H,22,27)(H,23,24,26)/t17-/m1/s1.
What are the key properties of (3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide?
(3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 137065762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).