3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

C18H21N5O2 — CID 110741981

IUPAC3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C18H21N5O2/c1-13(24)21-16-5-2-4-14(12-16)17(25)22-15-6-10-23(11-7-15)18-19-8-3-9-20-18/h2-5,8-9,12,15H,6-7,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyBMHQYPHLXYXGEU-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.83
Rot. Bonds4

About 3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (PubChem CID 110741981) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
PubChem CID110741981
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C18H21N5O2/c1-13(24)21-16-5-2-4-14(12-16)17(25)22-15-6-10-23(11-7-15)18-19-8-3-9-20-18/h2-5,8-9,12,15H,6-7,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyBMHQYPHLXYXGEU-UHFFFAOYSA-N
XLogP1.83
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55961440
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328
3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 108553808
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide
CID 47061398
3-acetamido-N-[1-(3-methoxypropanoyl)piperidin-4-yl]benzamide
CID 108553862
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558184
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508951

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (CID 110741981) is 3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is CC(=O)Nc1cccc(C(=O)NC2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The InChIKey is BMHQYPHLXYXGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13(24)21-16-5-2-4-14(12-16)17(25)22-15-6-10-23(11-7-15)18-19-8-3-9-20-18/h2-5,8-9,12,15H,6-7,10-11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide has a molecular weight of 339.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 110741981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).