3-[acetyl-(1-formylpiperidin-4-yl)amino]-N-(azetidin-3-yl)benzamide;2-methoxy-2-methylpropane

C23H36N4O4 — CID 163257508

IUPAC3-[acetyl-(1-formylpiperidin-4-yl)amino]-N-(azetidin-3-yl)benzamide;2-methoxy-2-methylpropane
SMILESCC(=O)N(c1cccc(C(=O)NC2CNC2)c1)C1CCN(C=O)CC1.COC(C)(C)C
InChIInChI=1S/C18H24N4O3.C5H12O/c1-13(24)22(16-5-7-21(12-23)8-6-16)17-4-2-3-14(9-17)18(25)20-15-10-19-11-15;1-5(2,3)6-4/h2-4,9,12,15-16,19H,5-8,10-11H2,1H3,(H,20,25);1-4H3
InChIKeyOLUHYRFUSXPRCB-UHFFFAOYSA-N
MW432.57 g/mol
LogP1.79
Rot. Bonds5

About 3-[acetyl-(1-formylpiperidin-4-yl)amino]-N-(azetidin-3-yl)benzamide;2-methoxy-2-methylpropane

3-[acetyl-(1-formylpiperidin-4-yl)amino]-N-(azetidin-3-yl)benzamide;2-methoxy-2-methylpropane (PubChem CID 163257508) has the molecular formula C23H36N4O4 and a molecular weight of 432.57 g/mol. Its IUPAC name is 3-[acetyl-(1-formylpiperidin-4-yl)amino]-N-(azetidin-3-yl)benzamide;2-methoxy-2-methylpropane.

Molecular Properties

Compound Name3-[acetyl-(1-formylpiperidin-4-yl)amino]-N-(azetidin-3-yl)benzamide;2-methoxy-2-methylpropane
PubChem CID163257508
Molecular FormulaC23H36N4O4
Molecular Weight432.57 g/mol
Exact Mass432.27
IUPAC Name3-[acetyl-(1-formylpiperidin-4-yl)amino]-N-(azetidin-3-yl)benzamide;2-methoxy-2-methylpropane
SMILESCC(=O)N(c1cccc(C(=O)NC2CNC2)c1)C1CCN(C=O)CC1.COC(C)(C)C
InChIInChI=1S/C18H24N4O3.C5H12O/c1-13(24)22(16-5-7-21(12-23)8-6-16)17-4-2-3-14(9-17)18(25)20-15-10-19-11-15;1-5(2,3)6-4/h2-4,9,12,15-16,19H,5-8,10-11H2,1H3,(H,20,25);1-4H3
InChIKeyOLUHYRFUSXPRCB-UHFFFAOYSA-N
XLogP1.79
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid
CID 146197469
methyl 3-[N-acetyl-3-[(1-methylazetidin-3-yl)carbamoyl]anilino]pyrrolidine-1-carboxylate
CID 153353376
3-[N-acetyl-3-[(1-methylazetidin-3-yl)carbamoyl]anilino]pyrrolidine-1-carboxylic acid
CID 146213122
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
CID 104982407
3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375158
N-(azetidin-3-yl)-3-methylsulfonylbenzamide
CID 66186520
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide
CID 113094048
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 110822294
3-formyl-N-(1-methylpiperidin-4-yl)benzamide
CID 90104631

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-(1-formylpiperidin-4-yl)amino]-N-(azetidin-3-yl)benzamide;2-methoxy-2-methylpropane?
The IUPAC name of 3-[acetyl-(1-formylpiperidin-4-yl)amino]-N-(azetidin-3-yl)benzamide;2-methoxy-2-methylpropane (CID 163257508) is 3-[acetyl-(1-formylpiperidin-4-yl)amino]-N-(azetidin-3-yl)benzamide;2-methoxy-2-methylpropane.
What is the SMILES notation for 3-[acetyl-(1-formylpiperidin-4-yl)amino]-N-(azetidin-3-yl)benzamide;2-methoxy-2-methylpropane?
The canonical SMILES for 3-[acetyl-(1-formylpiperidin-4-yl)amino]-N-(azetidin-3-yl)benzamide;2-methoxy-2-methylpropane is CC(=O)N(c1cccc(C(=O)NC2CNC2)c1)C1CCN(C=O)CC1.COC(C)(C)C.
What is the InChIKey of 3-[acetyl-(1-formylpiperidin-4-yl)amino]-N-(azetidin-3-yl)benzamide;2-methoxy-2-methylpropane?
The InChIKey is OLUHYRFUSXPRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.C5H12O/c1-13(24)22(16-5-7-21(12-23)8-6-16)17-4-2-3-14(9-17)18(25)20-15-10-19-11-15;1-5(2,3)6-4/h2-4,9,12,15-16,19H,5-8,10-11H2,1H3,(H,20,25);1-4H3.
What are the key properties of 3-[acetyl-(1-formylpiperidin-4-yl)amino]-N-(azetidin-3-yl)benzamide;2-methoxy-2-methylpropane?
3-[acetyl-(1-formylpiperidin-4-yl)amino]-N-(azetidin-3-yl)benzamide;2-methoxy-2-methylpropane has a molecular weight of 432.57 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-(1-formylpiperidin-4-yl)amino]-N-(azetidin-3-yl)benzamide;2-methoxy-2-methylpropane is sourced from PubChem (CID 163257508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).