N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide

C23H31N5O3 — CID 136682047

IUPACN-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1
InChIInChI=1S/C23H31N5O3/c29-21-16-19(24-23(26-21)28-11-13-31-14-12-28)15-20(18-7-3-1-4-8-18)25-22(30)17-27-9-5-2-6-10-27/h1,3-4,7-8,16,20H,2,5-6,9-15,17H2,(H,25,30)(H,24,26,29)/t20-/m1/s1
InChIKeyKDIJCEHDTUNANU-HXUWFJFHSA-N
MW425.53 g/mol
LogP1.49
Rot. Bonds7

About N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide

N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide (PubChem CID 136682047) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide
PubChem CID136682047
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1
InChIInChI=1S/C23H31N5O3/c29-21-16-19(24-23(26-21)28-11-13-31-14-12-28)15-20(18-7-3-1-4-8-18)25-22(30)17-27-9-5-2-6-10-27/h1,3-4,7-8,16,20H,2,5-6,9-15,17H2,(H,25,30)(H,24,26,29)/t20-/m1/s1
InChIKeyKDIJCEHDTUNANU-HXUWFJFHSA-N
XLogP1.49
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide
CID 136682030
2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136681378
N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 136891499
2,4-dimethyl-N-[2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 136858775
6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 136850258
N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 136764028
2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
CID 136816310
4-(ethylaminomethyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 135978215
2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide
CID 125160556
N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 92560528
2-morpholin-4-yl-4-[(3R)-1-[(3S)-3-phenylbutyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137061511
2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-ethyl-1H-pyrimidin-6-one
CID 135764000

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide (CID 136682047) is N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide?
The InChIKey is KDIJCEHDTUNANU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H31N5O3/c29-21-16-19(24-23(26-21)28-11-13-31-14-12-28)15-20(18-7-3-1-4-8-18)25-22(30)17-27-9-5-2-6-10-27/h1,3-4,7-8,16,20H,2,5-6,9-15,17H2,(H,25,30)(H,24,26,29)/t20-/m1/s1.
What are the key properties of N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide?
N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide has a molecular weight of 425.53 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 136682047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).