3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide

C20H25N5O2 — CID 47061398

IUPAC3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)NC2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C20H25N5O2/c1-14-5-3-6-16(13-14)19(27)23-15(2)18(26)24-17-7-11-25(12-8-17)20-21-9-4-10-22-20/h3-6,9-10,13,15,17H,7-8,11-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyVDLFVZSRSJZKAB-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.69
Rot. Bonds5

About 3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide

3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide (PubChem CID 47061398) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide
PubChem CID47061398
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)NC2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C20H25N5O2/c1-14-5-3-6-16(13-14)19(27)23-15(2)18(26)24-17-7-11-25(12-8-17)20-21-9-4-10-22-20/h3-6,9-10,13,15,17H,7-8,11-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyVDLFVZSRSJZKAB-UHFFFAOYSA-N
XLogP1.69
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544
2-(methylamino)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62639471
3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110741981
2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8958081
N-cyclooctyl-3-methylbenzamide
CID 966011
2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 51115668
N-[1-(6-chloroisoquinolin-1-yl)piperidin-4-yl]-3-methylbenzamide
CID 68881620
2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705373
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide (CID 47061398) is 3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide is Cc1cccc(C(=O)NC(C)C(=O)NC2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide?
The InChIKey is VDLFVZSRSJZKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14-5-3-6-16(13-14)19(27)23-15(2)18(26)24-17-7-11-25(12-8-17)20-21-9-4-10-22-20/h3-6,9-10,13,15,17H,7-8,11-12H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide?
3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide is sourced from PubChem (CID 47061398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).