N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide

C18H20N4O2 — CID 134803759

IUPACN-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2ccc(-c3cncnc3)cc2)CC1
InChIInChI=1S/C18H20N4O2/c1-13(23)21-17-6-8-22(9-7-17)18(24)15-4-2-14(3-5-15)16-10-19-12-20-11-16/h2-5,10-12,17H,6-9H2,1H3,(H,21,23)
InChIKeyZYTIUQFKFAKARE-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.88
Rot. Bonds3

About N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide

N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide (PubChem CID 134803759) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide
PubChem CID134803759
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2ccc(-c3cncnc3)cc2)CC1
InChIInChI=1S/C18H20N4O2/c1-13(23)21-17-6-8-22(9-7-17)18(24)15-4-2-14(3-5-15)16-10-19-12-20-11-16/h2-5,10-12,17H,6-9H2,1H3,(H,21,23)
InChIKeyZYTIUQFKFAKARE-UHFFFAOYSA-N
XLogP1.88
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide
CID 134800129
N-[1-(4-iodobenzoyl)piperidin-4-yl]acetamide
CID 49348956
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide
CID 134801644
(3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone
CID 134796273
N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide
CID 115770342
N-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 49348738
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 113228864
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
N-[1-[4-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide
CID 134504993
N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide
CID 125442665

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide (CID 134803759) is N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2ccc(-c3cncnc3)cc2)CC1.
What is the InChIKey of N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide?
The InChIKey is ZYTIUQFKFAKARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13(23)21-17-6-8-22(9-7-17)18(24)15-4-2-14(3-5-15)16-10-19-12-20-11-16/h2-5,10-12,17H,6-9H2,1H3,(H,21,23).
What are the key properties of N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide?
N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 134803759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).