2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide

C26H28N4O3 — CID 129361141

IUPAC2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1
InChIInChI=1S/C26H28N4O3/c1-3-33-23-15-8-7-13-20(23)26(32)30-16-10-9-14-22(30)24-27-17-21(18(2)28-24)25(31)29-19-11-5-4-6-12-19/h4-8,11-13,15,17,22H,3,9-10,14,16H2,1-2H3,(H,29,31)/t22-/m1/s1
InChIKeyAQFVJZGZTNQWBM-JOCHJYFZSA-N
MW444.54 g/mol
LogP4.80
Rot. Bonds6

About 2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide

2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 129361141) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
PubChem CID129361141
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1
InChIInChI=1S/C26H28N4O3/c1-3-33-23-15-8-7-13-20(23)26(32)30-16-10-9-14-22(30)24-27-17-21(18(2)28-24)25(31)29-19-11-5-4-6-12-19/h4-8,11-13,15,17,22H,3,9-10,14,16H2,1-2H3,(H,29,31)/t22-/m1/s1
InChIKeyAQFVJZGZTNQWBM-JOCHJYFZSA-N
XLogP4.80
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 132779301
2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110247652
2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637333
4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 92637327
4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92637317
2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247677
2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637297
2-(1-benzoylpyrrolidin-2-yl)-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247451
4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 110247436
4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 110084560
2-[(2S)-1-benzylpiperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637314
2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110249056

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide (CID 129361141) is 2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide is CCOc1ccccc1C(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1.
What is the InChIKey of 2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is AQFVJZGZTNQWBM-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-3-33-23-15-8-7-13-20(23)26(32)30-16-10-9-14-22(30)24-27-17-21(18(2)28-24)25(31)29-19-11-5-4-6-12-19/h4-8,11-13,15,17,22H,3,9-10,14,16H2,1-2H3,(H,29,31)/t22-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 129361141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).