2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide

C24H24N4O2 — CID 92639563

IUPAC2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCN(C(=O)c3ccccc3)CC2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H24N4O2/c1-17-21(23(29)27-20-10-6-3-7-11-20)16-25-22(26-17)18-12-14-28(15-13-18)24(30)19-8-4-2-5-9-19/h2-11,16,18H,12-15H2,1H3,(H,27,29)
InChIKeyFTQXOWTVUBFFER-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.06
Rot. Bonds4

About 2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide

2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 92639563) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide
PubChem CID92639563
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCN(C(=O)c3ccccc3)CC2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H24N4O2/c1-17-21(23(29)27-20-10-6-3-7-11-20)16-25-22(26-17)18-12-14-28(15-13-18)24(30)19-8-4-2-5-9-19/h2-11,16,18H,12-15H2,1H3,(H,27,29)
InChIKeyFTQXOWTVUBFFER-UHFFFAOYSA-N
XLogP4.06
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzoylpyrrolidin-3-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110088672
2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639808
4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide
CID 92639790
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110084796
N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084827
N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084844
4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide
CID 110084678
2-(1-benzoylpyrrolidin-2-yl)-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247451
N-(4-chlorophenyl)-4-methyl-2-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92636399
4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084801
2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247677
4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92639795

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide (CID 92639563) is 2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide is Cc1nc(C2CCN(C(=O)c3ccccc3)CC2)ncc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is FTQXOWTVUBFFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17-21(23(29)27-20-10-6-3-7-11-20)16-25-22(26-17)18-12-14-28(15-13-18)24(30)19-8-4-2-5-9-19/h2-11,16,18H,12-15H2,1H3,(H,27,29).
What are the key properties of 2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide?
2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 92639563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).