2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide

C20H24N4O3 — CID 92637333

IUPAC2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCOCC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1
InChIInChI=1S/C20H24N4O3/c1-14-16(20(26)23-15-8-4-3-5-9-15)12-21-19(22-14)17-10-6-7-11-24(17)18(25)13-27-2/h3-5,8-9,12,17H,6-7,10-11,13H2,1-2H3,(H,23,26)/t17-/m0/s1
InChIKeyGYQNSJBJQGWJEZ-KRWDZBQOSA-N
MW368.44 g/mol
LogP2.74
Rot. Bonds5

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

2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 92637333) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
PubChem CID92637333
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCOCC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1
InChIInChI=1S/C20H24N4O3/c1-14-16(20(26)23-15-8-4-3-5-9-15)12-21-19(22-14)17-10-6-7-11-24(17)18(25)13-27-2/h3-5,8-9,12,17H,6-7,10-11,13H2,1-2H3,(H,23,26)/t17-/m0/s1
InChIKeyGYQNSJBJQGWJEZ-KRWDZBQOSA-N
XLogP2.74
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110247652
4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92637317
2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637297
2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637229
4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 110084560
2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637163
2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 129361141
2-[1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 132779301
2-[(2S)-1-benzylpiperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637314
4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 110084518
2-methoxy-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110247862
2-[(2S)-1-(4-amino-4-oxobutanoyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 92639759

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide (CID 92637333) is 2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide is COCC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1.
What is the InChIKey of 2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is GYQNSJBJQGWJEZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-16(20(26)23-15-8-4-3-5-9-15)12-21-19(22-14)17-10-6-7-11-24(17)18(25)13-27-2/h3-5,8-9,12,17H,6-7,10-11,13H2,1-2H3,(H,23,26)/t17-/m0/s1.
What are the key properties of 2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 92637333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).