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

C23H30N4O2 — CID 136682030

IUPACN-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1
InChIInChI=1S/C23H30N4O2/c28-21-15-19(24-23(26-21)18-10-7-11-18)14-20(17-8-3-1-4-9-17)25-22(29)16-27-12-5-2-6-13-27/h1,3-4,8-9,15,18,20H,2,5-7,10-14,16H2,(H,25,29)(H,24,26,28)/t20-/m0/s1
InChIKeyDMJRLICNUHHUCB-FQEVSTJZSA-N
MW394.52 g/mol
LogP2.92
Rot. Bonds7

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

N-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide (PubChem CID 136682030) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide
PubChem CID136682030
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1
InChIInChI=1S/C23H30N4O2/c28-21-15-19(24-23(26-21)18-10-7-11-18)14-20(17-8-3-1-4-9-17)25-22(29)16-27-12-5-2-6-13-27/h1,3-4,8-9,15,18,20H,2,5-7,10-14,16H2,(H,25,29)(H,24,26,28)/t20-/m0/s1
InChIKeyDMJRLICNUHHUCB-FQEVSTJZSA-N
XLogP2.92
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide
CID 136682047
N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
CID 136858703
N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide
CID 136850324
N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 92560528
N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 136858700
2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 134050105
2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide
CID 125160556
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86911679
2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
CID 136816310
2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 107862973
N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide
CID 92585527
2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136681378

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide (CID 136682030) is N-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide?
The InChIKey is DMJRLICNUHHUCB-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-21-15-19(24-23(26-21)18-10-7-11-18)14-20(17-8-3-1-4-9-17)25-22(29)16-27-12-5-2-6-13-27/h1,3-4,8-9,15,18,20H,2,5-7,10-14,16H2,(H,25,29)(H,24,26,28)/t20-/m0/s1.
What are the key properties of N-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide?
N-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide has a molecular weight of 394.52 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 136682030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).